3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide

C14H20N6O — CID 62626872

IUPAC3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N6O/c1-2-9-16-14(21)8-10-15-11-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,21)
InChIKeyBFLZMXOGFLOMOP-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.67
Rot. Bonds8

About 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide

3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide (PubChem CID 62626872) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
PubChem CID62626872
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N6O/c1-2-9-16-14(21)8-10-15-11-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,21)
InChIKeyBFLZMXOGFLOMOP-UHFFFAOYSA-N
XLogP0.67
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.67
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

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide (CID 62626872) is 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1nnnn1-c1ccccc1.
What is the InChIKey of 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide?
The InChIKey is BFLZMXOGFLOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-9-16-14(21)8-10-15-11-13-17-18-19-20(13)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3,(H,16,21).
What are the key properties of 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide?
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide has a molecular weight of 288.35 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 62626872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).