3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine

C12H22N4 — CID 62710749

IUPAC3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-13-9-5-8-12-15-14-10-16(12)11-6-3-2-4-7-11/h10-11,13H,2-9H2,1H3
InChIKeyFAAWOWFXHWQOEN-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.94
Rot. Bonds5

About 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine

3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine (PubChem CID 62710749) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
PubChem CID62710749
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4/c1-13-9-5-8-12-15-14-10-16(12)11-6-3-2-4-7-11/h10-11,13H,2-9H2,1H3
InChIKeyFAAWOWFXHWQOEN-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
2-[(dimethyl-1H-1,2,4-triazol-1-yl)methyl]piperidine
CID 54592632
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
Hexazole
CID 3083863
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(ethylthio)propan-2-amine
CID 56709396

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine (CID 62710749) is 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine is CNCCCc1nncn1C1CCCCC1.
What is the InChIKey of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The InChIKey is FAAWOWFXHWQOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-13-9-5-8-12-15-14-10-16(12)11-6-3-2-4-7-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62710749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).