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

C10H16N4 — CID 79210902

IUPAC4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
SMILESCC(C)c1n[nH]c(C2C=CC(N)C2)n1
InChIInChI=1S/C10H16N4/c1-6(2)9-12-10(14-13-9)7-3-4-8(11)5-7/h3-4,6-8H,5,11H2,1-2H3,(H,12,13,14)
InChIKeyMOXBDAQCBSJEKT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.30
Rot. Bonds2

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

4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine (PubChem CID 79210902) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
PubChem CID79210902
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine
SMILESCC(C)c1n[nH]c(C2C=CC(N)C2)n1
InChIInChI=1S/C10H16N4/c1-6(2)9-12-10(14-13-9)7-3-4-8(11)5-7/h3-4,6-8H,5,11H2,1-2H3,(H,12,13,14)
InChIKeyMOXBDAQCBSJEKT-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine (CID 79210902) is 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine is CC(C)c1n[nH]c(C2C=CC(N)C2)n1.
What is the InChIKey of 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
The InChIKey is MOXBDAQCBSJEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-6(2)9-12-10(14-13-9)7-3-4-8(11)5-7/h3-4,6-8H,5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine?
4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79210902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).