N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C16H28N4O — CID 75508877

IUPACN-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC1CCC(C)C(C)C1)CC2
InChIInChI=1S/C16H28N4O/c1-11-4-5-13(8-12(11)2)17-14-6-7-16-18-15(10-21-3)19-20(16)9-14/h11-14,17H,4-10H2,1-3H3
InChIKeyRHCNVJRZOIPQJL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.15
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 75508877) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID75508877
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC1CCC(C)C(C)C1)CC2
InChIInChI=1S/C16H28N4O/c1-11-4-5-13(8-12(11)2)17-14-6-7-16-18-15(10-21-3)19-20(16)9-14/h11-14,17H,4-10H2,1-3H3
InChIKeyRHCNVJRZOIPQJL-UHFFFAOYSA-N
XLogP2.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 75508877) is N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COCc1nc2n(n1)CC(NC1CCC(C)C(C)C1)CC2.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is RHCNVJRZOIPQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11-4-5-13(8-12(11)2)17-14-6-7-16-18-15(10-21-3)19-20(16)9-14/h11-14,17H,4-10H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 292.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 75508877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).