Basic information
- CAS
132802-10-9- Standard SMILES
Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC=O)nn3C)cn2C)cc1C(=O)NCCC(=N)N- InChIKey
XGJLBSCFJUDWHH-UHFFFAOYSA-N- Molecular formula
- C20H25N11O4
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.20909832
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((5((-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3-(formylamino)-1-methyl-
- IUPAC
- N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-formamido-2-methyl-1,2,4-triazole-3-carboxamide
Names & synonyms
132802-10-91H-1,2,4-Triazole-5-carboxamide, N-(5-(((5((-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3-(formylamino)-1-methyl-DTXSID00157806N-[5-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-3-formamido-1-methyl-1H-1,2,4-triazole-5-carboxamide
Database identifiers
- CAS
132802-10-9- PubChem CID
- 183111
- DTXSID
DTXSID00157806- Nikkaji
- J418.964G
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 827
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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