4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

C9H14N4 — CID 115277802

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCn1ncnc1C1C=CC(N)C1
InChIInChI=1S/C9H14N4/c1-2-13-9(11-6-12-13)7-3-4-8(10)5-7/h3-4,6-8H,2,5,10H2,1H3
InChIKeyXNBFCFFCPANTCZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.67
Rot. Bonds2

About 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 115277802) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID115277802
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCCn1ncnc1C1C=CC(N)C1
InChIInChI=1S/C9H14N4/c1-2-13-9(11-6-12-13)7-3-4-8(10)5-7/h3-4,6-8H,2,5,10H2,1H3
InChIKeyXNBFCFFCPANTCZ-UHFFFAOYSA-N
XLogP0.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.67
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

(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
CID 68830180
2,8-Dimethyl-5,9-dihydro-[1,2,4]triazolo[1,5-a]azepin-8-amine
CID 91513834
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine
CID 146514435
2-[4-(1-Methyl-1,2,4-triazol-3-yl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 158405439
4-methyl-2-[5-[(Z)-pent-2-en-2-yl]-1,2,4-triazol-1-yl]pentan-2-amine
CID 167217300
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 63332454
1-cyclohex-3-en-1-yl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65600673
1-cyclohex-3-en-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65607839

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 115277802) is 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is CCn1ncnc1C1C=CC(N)C1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is XNBFCFFCPANTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-13-9(11-6-12-13)7-3-4-8(10)5-7/h3-4,6-8H,2,5,10H2,1H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 115277802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).