4-[(1-phenyltetrazol-5-yl)methylamino]butanamide

C12H16N6O — CID 62626871

IUPAC4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
SMILESNC(=O)CCCNCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N6O/c13-11(19)7-4-8-14-9-12-15-16-17-18(12)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,13,19)
InChIKeyGIOQSIHNRVCCEF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.02
Rot. Bonds7

About 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide

4-[(1-phenyltetrazol-5-yl)methylamino]butanamide (PubChem CID 62626871) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
PubChem CID62626871
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
SMILESNC(=O)CCCNCc1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N6O/c13-11(19)7-4-8-14-9-12-15-16-17-18(12)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,13,19)
InChIKeyGIOQSIHNRVCCEF-UHFFFAOYSA-N
XLogP0.02
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 62977216
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54231747
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide?
The IUPAC name of 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide (CID 62626871) is 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide?
The canonical SMILES for 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide is NC(=O)CCCNCc1nnnn1-c1ccccc1.
What is the InChIKey of 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide?
The InChIKey is GIOQSIHNRVCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-11(19)7-4-8-14-9-12-15-16-17-18(12)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,13,19).
What are the key properties of 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide?
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide has a molecular weight of 260.30 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltetrazol-5-yl)methylamino]butanamide is sourced from PubChem (CID 62626871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).