[1-(1-Pyrimidin-2-yl-cyclopropyl-carbamoyl)-3-1,2,3-triazol-2-yl-propyl]-carbamic acid tert-butyl ester

HCID 67390356
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(CCn1nccn1)C(=O)NC1(c2ncccn2)CC1
InChIKey
RHXZZLZQKFBUMM-UHFFFAOYSA-N
Molecular formula
C18H25N7O3
Average molar mass
387.4 g/mol
Monoisotopic mass
387.20188768

Names & identifiers

Preferred name
[1-(1-Pyrimidin-2-yl-cyclopropyl-carbamoyl)-3-1,2,3-triazol-2-yl-propyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[1-oxo-1-[(1-pyrimidin-2-ylcyclopropyl)amino]-4-(triazol-2-yl)butan-2-yl]carbamate

Names & synonyms

SCHEMBL2392604RHXZZLZQKFBUMM-UHFFFAOYSA-N[1-(1-pyrimidin-2-yl-cyclopropyl-carbamoyl)-3-1,2,3-triazol-2-yl-propyl]-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
67390356

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
28

Related reactions

4 records
New reaction record

Compound notes

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[1-(1-Pyrimidin-2-yl-cyclopropyl-carbamoyl)-3-1,2,3-triazol-2-yl-propyl]-carbamic acid tert-butyl ester (HCID 67390356)｜Huagongshe