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

C9H16N4 — CID 62693871

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCn1cnnc1C1CCC(N)CC1
InChIInChI=1S/C9H16N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h6-8H,2-5,10H2,1H3
InChIKeyOTQLNKFKXGCRAS-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds1

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

4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 62693871) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID62693871
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCn1cnnc1C1CCC(N)CC1
InChIInChI=1S/C9H16N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h6-8H,2-5,10H2,1H3
InChIKeyOTQLNKFKXGCRAS-UHFFFAOYSA-N
XLogP0.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 62693871) is 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is Cn1cnnc1C1CCC(N)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is OTQLNKFKXGCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h6-8H,2-5,10H2,1H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 62693871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).