(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine

C8H14N4 — CID 62952024

IUPAC(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(C2CCCC2)n1
InChIInChI=1S/C8H14N4/c9-5-8-10-6-12(11-8)7-3-1-2-4-7/h6-7H,1-5,9H2
InChIKeyXAVGTCMOJNVBRQ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.85
Rot. Bonds2

About (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine

(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62952024) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine
PubChem CID62952024
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(C2CCCC2)n1
InChIInChI=1S/C8H14N4/c9-5-8-10-6-12(11-8)7-3-1-2-4-7/h6-7H,1-5,9H2
InChIKeyXAVGTCMOJNVBRQ-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-cyclopentyl-1,2,4-triazole
CID 119053455
1-cycloheptyl-1,2,4-triazole-3-carbonitrile
CID 82924529
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
(1-cyclobutyltriazol-4-yl)methanamine;dihydrochloride
CID 122156702
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
CID 83878558
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine (CID 62952024) is (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine is NCc1ncn(C2CCCC2)n1.
What is the InChIKey of (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is XAVGTCMOJNVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-5-8-10-6-12(11-8)7-3-1-2-4-7/h6-7H,1-5,9H2.
What are the key properties of (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine?
(1-cyclopentyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62952024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).