1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole

C10H17N3 — CID 130166985

IUPAC1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
SMILESCC1CCC(Cn2cncn2)CC1
InChIInChI=1S/C10H17N3/c1-9-2-4-10(5-3-9)6-13-8-11-7-12-13/h7-10H,2-6H2,1H3
InChIKeyVCUZGPDWJXLFDS-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.10
Rot. Bonds2

About 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole

1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole (PubChem CID 130166985) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
PubChem CID130166985
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
SMILESCC1CCC(Cn2cncn2)CC1
InChIInChI=1S/C10H17N3/c1-9-2-4-10(5-3-9)6-13-8-11-7-12-13/h7-10H,2-6H2,1H3
InChIKeyVCUZGPDWJXLFDS-UHFFFAOYSA-N
XLogP2.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
CID 59689224
1-(piperidin-4-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851131
(2R)-1-(4-methylpiperidin-1-yl)-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95316402
5-ethyl-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 130685229
1-[[(2R,3R)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
CID 54253937
1-[[(2S)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 42281468
1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 122139070
1-[[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 136533417
1-(piperidin-3-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 120851129
cis-(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
CID 68830379
1-[(2-propan-2-ylcycloheptyl)methyl]-1,2,4-triazole
CID 59088664
4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 165483608

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole (CID 130166985) is 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole is CC1CCC(Cn2cncn2)CC1.
What is the InChIKey of 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole?
The InChIKey is VCUZGPDWJXLFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-2-4-10(5-3-9)6-13-8-11-7-12-13/h7-10H,2-6H2,1H3.
What are the key properties of 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole?
1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 130166985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).