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

C15H23N5 — CID 115309141

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(NC3(CN)CCCCC3C)nc2c1
InChIInChI=1S/C15H23N5/c1-11-6-8-20-13(9-11)17-14(19-20)18-15(10-16)7-4-3-5-12(15)2/h6,8-9,12H,3-5,7,10,16H2,1-2H3,(H,18,19)
InChIKeyJCVAJZZUKDQWIL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.36
Rot. Bonds3

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 115309141) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID115309141
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(NC3(CN)CCCCC3C)nc2c1
InChIInChI=1S/C15H23N5/c1-11-6-8-20-13(9-11)17-14(19-20)18-15(10-16)7-4-3-5-12(15)2/h6,8-9,12H,3-5,7,10,16H2,1-2H3,(H,18,19)
InChIKeyJCVAJZZUKDQWIL-UHFFFAOYSA-N
XLogP2.36
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 115309141) is N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccn2nc(NC3(CN)CCCCC3C)nc2c1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JCVAJZZUKDQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-6-8-20-13(9-11)17-14(19-20)18-15(10-16)7-4-3-5-12(15)2/h6,8-9,12H,3-5,7,10,16H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 115309141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).