1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C16H22N4 — CID 103276129

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCC1=CC(C)CC(CNCc2nnc3ccccn23)C1
InChIInChI=1S/C16H22N4/c1-12-7-13(2)9-14(8-12)10-17-11-16-19-18-15-5-3-4-6-20(15)16/h3-7,12,14,17H,8-11H2,1-2H3
InChIKeyJNOGABMSHZADJG-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.81
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 103276129) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID103276129
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCC1=CC(C)CC(CNCc2nnc3ccccn23)C1
InChIInChI=1S/C16H22N4/c1-12-7-13(2)9-14(8-12)10-17-11-16-19-18-15-5-3-4-6-20(15)16/h3-7,12,14,17H,8-11H2,1-2H3
InChIKeyJNOGABMSHZADJG-UHFFFAOYSA-N
XLogP2.81
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
1-(1-methylpiperidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62653976
1-[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 99856169
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 43182864
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
CID 103276026
2,2-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-ol
CID 81414347
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
4,6-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 135106778
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 103276129) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is CC1=CC(C)CC(CNCc2nnc3ccccn23)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is JNOGABMSHZADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-7-13(2)9-14(8-12)10-17-11-16-19-18-15-5-3-4-6-20(15)16/h3-7,12,14,17H,8-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 103276129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).