4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide

C14H16N6O — CID 79209042

IUPAC4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C14H16N6O/c1-9-17-18-19-20(9)13-4-2-3-12(8-13)16-14(21)10-5-6-11(15)7-10/h2-6,8,10-11H,7,15H2,1H3,(H,16,21)
InChIKeyHJELFWQBZYXIAS-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.81
Rot. Bonds3

About 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79209042) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID79209042
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESCc1nnnn1-c1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C14H16N6O/c1-9-17-18-19-20(9)13-4-2-3-12(8-13)16-14(21)10-5-6-11(15)7-10/h2-6,8,10-11H,7,15H2,1H3,(H,16,21)
InChIKeyHJELFWQBZYXIAS-UHFFFAOYSA-N
XLogP0.81
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211271
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
N-[3-(5-methyltetrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 131947377
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide (CID 79209042) is 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide is Cc1nnnn1-c1cccc(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is HJELFWQBZYXIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-17-18-19-20(9)13-4-2-3-12(8-13)16-14(21)10-5-6-11(15)7-10/h2-6,8,10-11H,7,15H2,1H3,(H,16,21).
What are the key properties of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).