(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H24N4 — CID 124736808

IUPAC(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCn2ncnc21
InChIInChI=1S/C15H24N4/c1-11-5-3-6-12(2)13(11)9-16-14-7-4-8-19-15(14)17-10-18-19/h5,10,12-14,16H,3-4,6-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyPDMKGYBQJWLPHY-MJBXVCDLSA-N
MW260.38 g/mol
LogP2.69
Rot. Bonds3

About (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 124736808) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID124736808
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCn2ncnc21
InChIInChI=1S/C15H24N4/c1-11-5-3-6-12(2)13(11)9-16-14-7-4-8-19-15(14)17-10-18-19/h5,10,12-14,16H,3-4,6-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyPDMKGYBQJWLPHY-MJBXVCDLSA-N
XLogP2.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 124736808) is (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCn2ncnc21.
What is the InChIKey of (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is PDMKGYBQJWLPHY-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H24N4/c1-11-5-3-6-12(2)13(11)9-16-14-7-4-8-19-15(14)17-10-18-19/h5,10,12-14,16H,3-4,6-9H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 260.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 124736808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).