1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one

C8H15N5O — CID 107061932

IUPAC1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-3-4-9-6-7(14)5-8-10-12-13(2)11-8/h9H,3-6H2,1-2H3
InChIKeyOJGVOWQMOYOMDJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.68
Rot. Bonds6

About 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one

1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one (PubChem CID 107061932) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one
PubChem CID107061932
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-3-4-9-6-7(14)5-8-10-12-13(2)11-8/h9H,3-6H2,1-2H3
InChIKeyOJGVOWQMOYOMDJ-UHFFFAOYSA-N
XLogP-0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 107062235
1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(methylamino)ethan-1-one
CID 84650138
1-(2-Ethyltetrazol-5-yl)-2-(methylamino)ethanone
CID 84765547
3-Amino-1-(2-ethyltetrazol-5-yl)propan-1-one
CID 84765548
2-(Methylamino)-1-(2-propyltetrazol-5-yl)ethanone
CID 84769018
3-Amino-1-(2-propyltetrazol-5-yl)propan-1-one
CID 84769019
1-(Dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
1-Amino-3-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)propan-2-one
CID 107061738
1-(Methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061804
1-(2-Methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
CID 107061820
1-(Cyclopropylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061823
5-(Methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061830

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one (CID 107061932) is 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one is CCCNCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one?
The InChIKey is OJGVOWQMOYOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-4-9-6-7(14)5-8-10-12-13(2)11-8/h9H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one?
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-one is sourced from PubChem (CID 107061932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).