3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide

C12H20N4O — CID 71980106

IUPAC3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCCc2ncn[nH]2)C1
InChIInChI=1S/C12H20N4O/c1-9-3-2-4-10(7-9)12(17)13-6-5-11-14-8-15-16-11/h8-10H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeySUUZPLPMRGWECR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds4

About 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide

3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 71980106) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID71980106
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCCc2ncn[nH]2)C1
InChIInChI=1S/C12H20N4O/c1-9-3-2-4-10(7-9)12(17)13-6-5-11-14-8-15-16-11/h8-10H,2-7H2,1H3,(H,13,17)(H,14,15,16)
InChIKeySUUZPLPMRGWECR-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042
5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 114826327
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
1-cyclopentyl-1-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 131960676
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
4-ethyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511873
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
CID 114429118
3-methyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64523525
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 64547266
2-amino-2-cyclopropyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64532140

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 71980106) is 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide is CC1CCCC(C(=O)NCCc2ncn[nH]2)C1.
What is the InChIKey of 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is SUUZPLPMRGWECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-3-2-4-10(7-9)12(17)13-6-5-11-14-8-15-16-11/h8-10H,2-7H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide?
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71980106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).