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

C11H18N4 — CID 79211216

IUPAC4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nnc(C2C=CC(N)C2)n1C(C)C
InChIInChI=1S/C11H18N4/c1-7(2)15-8(3)13-14-11(15)9-4-5-10(12)6-9/h4-5,7,9-10H,6,12H2,1-3H3
InChIKeyHVYMYGJIEIISFK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds2

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

4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79211216) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79211216
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
SMILESCc1nnc(C2C=CC(N)C2)n1C(C)C
InChIInChI=1S/C11H18N4/c1-7(2)15-8(3)13-14-11(15)9-4-5-10(12)6-9/h4-5,7,9-10H,6,12H2,1-3H3
InChIKeyHVYMYGJIEIISFK-UHFFFAOYSA-N
XLogP1.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine (CID 79211216) is 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is Cc1nnc(C2C=CC(N)C2)n1C(C)C.
What is the InChIKey of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is HVYMYGJIEIISFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-7(2)15-8(3)13-14-11(15)9-4-5-10(12)6-9/h4-5,7,9-10H,6,12H2,1-3H3.
What are the key properties of 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine?
4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79211216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).