5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14ClN5 — CID 102918898

IUPAC5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(N(CC2CC2)C2CC2)n2ncnc2n1
InChIInChI=1S/C12H14ClN5/c13-10-5-11(18-12(16-10)14-7-15-18)17(9-3-4-9)6-8-1-2-8/h5,7-9H,1-4,6H2
InChIKeyZDHPCYJRGBRNEZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.16
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918898) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918898
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(N(CC2CC2)C2CC2)n2ncnc2n1
InChIInChI=1S/C12H14ClN5/c13-10-5-11(18-12(16-10)14-7-15-18)17(9-3-4-9)6-8-1-2-8/h5,7-9H,1-4,6H2
InChIKeyZDHPCYJRGBRNEZ-UHFFFAOYSA-N
XLogP2.16
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918479
N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 80667794
5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918468
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78898466
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133285786
5-chloro-N-methyl-N-(2-methyloxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919057
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918652

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918898) is 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1cc(N(CC2CC2)C2CC2)n2ncnc2n1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZDHPCYJRGBRNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-5-11(18-12(16-10)14-7-15-18)17(9-3-4-9)6-8-1-2-8/h5,7-9H,1-4,6H2.
What are the key properties of 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 263.73 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).