N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C13H17ClN4 — CID 65027810

IUPACN-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC2CCC(Cl)CC2)n2ncnc2c1
InChIInChI=1S/C13H17ClN4/c1-9-6-12-15-8-16-18(12)13(7-9)17-11-4-2-10(14)3-5-11/h6-8,10-11,17H,2-5H2,1H3
InChIKeyGCZMWVXVWLAJAV-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.00
Rot. Bonds2

About N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 65027810) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID65027810
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC2CCC(Cl)CC2)n2ncnc2c1
InChIInChI=1S/C13H17ClN4/c1-9-6-12-15-8-16-18(12)13(7-9)17-11-4-2-10(14)3-5-11/h6-8,10-11,17H,2-5H2,1H3
InChIKeyGCZMWVXVWLAJAV-UHFFFAOYSA-N
XLogP3.00
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-4-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexane-1,4-diamine
CID 79110724
7-methyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43232824
4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]cyclohexan-1-ol
CID 43232806
7-methyl-N-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63363423
7-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65471843
N-(2,2-diethyloxan-4-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 82765044
N-(2-cyclopropyloxolan-3-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103864051
2-cyclohexyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]acetic acid
CID 61015652
N-[(1-cyclopropylcyclopropyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103837600
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
7-methyl-N-(2-piperidin-4-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63871172
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 65027810) is N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NC2CCC(Cl)CC2)n2ncnc2c1.
What is the InChIKey of N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is GCZMWVXVWLAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9-6-12-15-8-16-18(12)13(7-9)17-11-4-2-10(14)3-5-11/h6-8,10-11,17H,2-5H2,1H3.
What are the key properties of N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 264.76 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 65027810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).