(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine

C8H12N4 — CID 68830180

IUPAC(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
SMILESN[C@@H]1C=C[C@H](Cn2cncn2)C1
InChIInChI=1S/C8H12N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h1-2,5-8H,3-4,9H2/t7-,8+/m0/s1
InChIKeyCTEYSIPRPAKXNG-JGVFFNPUSA-N
MW164.21 g/mol
LogP0.18
Rot. Bonds2

About (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine

(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine (PubChem CID 68830180) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
PubChem CID68830180
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
SMILESN[C@@H]1C=C[C@H](Cn2cncn2)C1
InChIInChI=1S/C8H12N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h1-2,5-8H,3-4,9H2/t7-,8+/m0/s1
InChIKeyCTEYSIPRPAKXNG-JGVFFNPUSA-N
XLogP0.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.18
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

3-Fluoro-3-[3-(1,2,4-triazol-1-yl)propyl]cyclohexa-1,5-diene-1,4-diamine
CID 175313537
(3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopenten-1-amine
CID 66924390
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine;hydrochloride
CID 117763986
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 117763987
3-(1,2,4-Triazol-1-yl)cyclopent-2-en-1-amine
CID 121317437
6,6-Dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 121317558
N-ethyl-5,5-dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 141424897
(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
CID 143922029
6-Methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine
CID 174778823
1-Cyclohex-2-en-1-yl-1,2,4-triazole
CID 13491239

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine?
The IUPAC name of (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine (CID 68830180) is (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine?
The canonical SMILES for (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine is N[C@@H]1C=C[C@H](Cn2cncn2)C1.
What is the InChIKey of (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine?
The InChIKey is CTEYSIPRPAKXNG-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H12N4/c9-8-2-1-7(3-8)4-12-6-10-5-11-12/h1-2,5-8H,3-4,9H2/t7-,8+/m0/s1.
What are the key properties of (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine?
(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine has a molecular weight of 164.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 68830180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).