[1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine

C9H14N4 — CID 130961499

IUPAC[1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CC2=CCCC2)n1
InChIInChI=1S/C9H14N4/c10-5-9-11-7-13(12-9)6-8-3-1-2-4-8/h3,7H,1-2,4-6,10H2
InChIKeyVJBKVKNKYGECQD-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.85
Rot. Bonds3

About [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine

[1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 130961499) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID130961499
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name[1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CC2=CCCC2)n1
InChIInChI=1S/C9H14N4/c10-5-9-11-7-13(12-9)6-8-3-1-2-4-8/h3,7H,1-2,4-6,10H2
InChIKeyVJBKVKNKYGECQD-UHFFFAOYSA-N
XLogP0.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782
[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82924780
cyclododecen-1-ylmethanamine
CID 70571219
5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one
CID 130927833
[1-[(3-chlorothiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 130534603
5-[3-(aminomethyl)-1,2,4-triazol-1-yl]pentan-1-ol
CID 62950888
(E)-5-(cyclopenten-1-yl)pent-3-en-1-amine
CID 131248584
cyclopenten-1-ylmethylsilane
CID 172697328
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-buta-2,3-dienylcyclopentene
CID 57298575
[1-[2-(2-methylimidazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 62950336
5-(cyclopenten-1-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
CID 130826336

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine (CID 130961499) is [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine is NCc1ncn(CC2=CCCC2)n1.
What is the InChIKey of [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is VJBKVKNKYGECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-5-9-11-7-13(12-9)6-8-3-1-2-4-8/h3,7H,1-2,4-6,10H2.
What are the key properties of [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
[1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 178.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopenten-1-ylmethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 130961499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).