4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine

C9H16N4 — CID 61277918

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCc1nc(C2CCC(N)CC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyLVNMKAOWVYAWHL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds1

About 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine

4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 61277918) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID61277918
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCc1nc(C2CCC(N)CC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyLVNMKAOWVYAWHL-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 61277918) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is Cc1nc(C2CCC(N)CC2)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is LVNMKAOWVYAWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h7-8H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 61277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).