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

C13H20N4 — CID 119052584

IUPACN-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC1=CCC(NC2CCCn3ncnc32)CC1
InChIInChI=1S/C13H20N4/c1-10-4-6-11(7-5-10)16-12-3-2-8-17-13(12)14-9-15-17/h4,9,11-12,16H,2-3,5-8H2,1H3
InChIKeyZDUDSLQDDVRZIX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.20
Rot. Bonds2

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

N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 119052584) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID119052584
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC1=CCC(NC2CCCn3ncnc32)CC1
InChIInChI=1S/C13H20N4/c1-10-4-6-11(7-5-10)16-12-3-2-8-17-13(12)14-9-15-17/h4,9,11-12,16H,2-3,5-8H2,1H3
InChIKeyZDUDSLQDDVRZIX-UHFFFAOYSA-N
XLogP2.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 119052584) is N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CC1=CCC(NC2CCCn3ncnc32)CC1.
What is the InChIKey of N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is ZDUDSLQDDVRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-4-6-11(7-5-10)16-12-3-2-8-17-13(12)14-9-15-17/h4,9,11-12,16H,2-3,5-8H2,1H3.
What are the key properties of N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 232.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohex-3-en-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 119052584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).