3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide

C11H17N5O — CID 62793173

IUPAC3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide
SMILESC=CCN(C(=O)c1nc(N)n[nH]1)C1CCCC1
InChIInChI=1S/C11H17N5O/c1-2-7-16(8-5-3-4-6-8)10(17)9-13-11(12)15-14-9/h2,8H,1,3-7H2,(H3,12,13,14,15)
InChIKeyCPIDQYOMDADZHZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds4

About 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793173) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793173
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide
SMILESC=CCN(C(=O)c1nc(N)n[nH]1)C1CCCC1
InChIInChI=1S/C11H17N5O/c1-2-7-16(8-5-3-4-6-8)10(17)9-13-11(12)15-14-9/h2,8H,1,3-7H2,(H3,12,13,14,15)
InChIKeyCPIDQYOMDADZHZ-UHFFFAOYSA-N
XLogP0.96
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
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 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide (CID 62793173) is 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide is C=CCN(C(=O)c1nc(N)n[nH]1)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CPIDQYOMDADZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-7-16(8-5-3-4-6-8)10(17)9-13-11(12)15-14-9/h2,8H,1,3-7H2,(H3,12,13,14,15).
What are the key properties of 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).