4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C8H15N5O — CID 107062524

IUPAC4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCC(N)C(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-5(6(2)9)7(14)4-8-10-12-13(3)11-8/h5-6H,4,9H2,1-3H3
InChIKeyYKBLKQLSXNMMCM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.69
Rot. Bonds4

About 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one

4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107062524) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107062524
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCC(N)C(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-5(6(2)9)7(14)4-8-10-12-13(3)11-8/h5-6H,4,9H2,1-3H3
InChIKeyYKBLKQLSXNMMCM-UHFFFAOYSA-N
XLogP-0.69
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107062524) is 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is CC(N)C(C)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is YKBLKQLSXNMMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(6(2)9)7(14)4-8-10-12-13(3)11-8/h5-6H,4,9H2,1-3H3.
What are the key properties of 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107062524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).