4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

C9H14N4 — CID 115277803

IUPAC4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nc(C2C=CC(N)C2)n(C)n1
InChIInChI=1S/C9H14N4/c1-6-11-9(13(2)12-6)7-3-4-8(10)5-7/h3-4,7-8H,5,10H2,1-2H3
InChIKeyRKDMTPUAZWZIDB-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.49
Rot. Bonds1

About 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine

4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 115277803) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID115277803
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nc(C2C=CC(N)C2)n(C)n1
InChIInChI=1S/C9H14N4/c1-6-11-9(13(2)12-6)7-3-4-8(10)5-7/h3-4,7-8H,5,10H2,1-2H3
InChIKeyRKDMTPUAZWZIDB-UHFFFAOYSA-N
XLogP0.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
CID 70433566
2,8-Dimethyl-5,9-dihydro-[1,2,4]triazolo[1,5-a]azepin-8-amine
CID 91513834
4-[3-(Cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
CID 142910498
1-but-3-en-2-yl-N-methyl-3,5-bis(2-methylpropyl)-1,2,4-triazol-1-ium-4-amine
CID 153766665
1-cyclohex-3-en-1-yl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 65607839
3-[(2-Methyl-1,2,4-triazol-3-yl)methyl]cyclopent-2-en-1-amine
CID 65614409
3-[(2-Propyl-1,2,4-triazol-3-yl)methyl]cyclohex-2-en-1-amine
CID 65617407
3-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-2-en-1-amine
CID 65617607
3-[(2-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohex-2-en-1-amine
CID 65617608
3-[[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohex-2-en-1-amine
CID 65617609
5,5-Dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclohex-2-en-1-amine
CID 65617810
3-[(2-Propyl-1,2,4-triazol-3-yl)methyl]cyclopent-2-en-1-amine
CID 65618009

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 115277803) is 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cc1nc(C2C=CC(N)C2)n(C)n1.
What is the InChIKey of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is RKDMTPUAZWZIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6-11-9(13(2)12-6)7-3-4-8(10)5-7/h3-4,7-8H,5,10H2,1-2H3.
What are the key properties of 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 115277803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).