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

C9H14N4 — CID 82409914

IUPAC1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine
SMILESCc1nc(C2(N)CC=CC2)n(C)n1
InChIInChI=1S/C9H14N4/c1-7-11-8(13(2)12-7)9(10)5-3-4-6-9/h3-4H,5-6,10H2,1-2H3
InChIKeyDREICJOXORQRPF-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.63
Rot. Bonds1

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

1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine (PubChem CID 82409914) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine
PubChem CID82409914
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine
SMILESCc1nc(C2(N)CC=CC2)n(C)n1
InChIInChI=1S/C9H14N4/c1-7-11-8(13(2)12-7)9(10)5-3-4-6-9/h3-4H,5-6,10H2,1-2H3
InChIKeyDREICJOXORQRPF-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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

2,8-Dimethyl-5,9-dihydro-[1,2,4]triazolo[1,5-a]azepin-8-amine
CID 91513834
1-(4,5-Dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine
CID 82409913
5-(4-Aminocyclopent-2-en-1-yl)-2-methyl-1,2,4-triazol-3-amine
CID 104605476
1-Butyl-3-cyclopent-3-en-1-yl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 109861987
4-(2-Ethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277802
4-(2,5-Dimethyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277803
4-(5-Ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277804
4-(2-Methyl-5-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277805
4-(2-Methyl-5-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277806
4-(5-Cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277807
4-(5-Tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277808
4-[2-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopent-2-en-1-amine
CID 115277809

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine?
The IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine (CID 82409914) is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine.
What is the SMILES notation for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine?
The canonical SMILES for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine is Cc1nc(C2(N)CC=CC2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine?
The InChIKey is DREICJOXORQRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-11-8(13(2)12-7)9(10)5-3-4-6-9/h3-4H,5-6,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine?
1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopent-3-en-1-amine is sourced from PubChem (CID 82409914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).