5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine

C9H16N4 — CID 127004880

IUPAC5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESCC1CCCC(c2nc(N)n[nH]2)C1
InChIInChI=1S/C9H16N4/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyVFONPOJFJPTQHW-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.68
Rot. Bonds1

About 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine

5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine (PubChem CID 127004880) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
PubChem CID127004880
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESCC1CCCC(c2nc(N)n[nH]2)C1
InChIInChI=1S/C9H16N4/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyVFONPOJFJPTQHW-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine
CID 164645808
5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 114426843
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115016759
5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
CID 167739892
2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 103980129
5-(3-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 107072621
5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
CID 79531743
5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-amine
CID 81330712
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
CID 63611976
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 163409809
5-(2-adamantyl)-1H-1,2,4-triazol-3-amine
CID 81096033

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine (CID 127004880) is 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine is CC1CCCC(c2nc(N)n[nH]2)C1.
What is the InChIKey of 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VFONPOJFJPTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6-3-2-4-7(5-6)8-11-9(10)13-12-8/h6-7H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine?
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 127004880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).