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

C5H8N4O — CID 1382049

IUPAC1-(5-methyltetrazol-2-yl)propan-2-one
SMILESCC(=O)Cn1nnc(C)n1
InChIInChI=1S/C5H8N4O/c1-4(10)3-9-7-5(2)6-8-9/h3H2,1-2H3
InChIKeyIZQDOVVZZNPJDJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.43
Rot. Bonds2

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

1-(5-methyltetrazol-2-yl)propan-2-one (PubChem CID 1382049) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-(5-methyltetrazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methyltetrazol-2-yl)propan-2-one
PubChem CID1382049
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-(5-methyltetrazol-2-yl)propan-2-one
SMILESCC(=O)Cn1nnc(C)n1
InChIInChI=1S/C5H8N4O/c1-4(10)3-9-7-5(2)6-8-9/h3H2,1-2H3
InChIKeyIZQDOVVZZNPJDJ-UHFFFAOYSA-N
XLogP-0.43
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyltetrazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyltetrazol-2-yl)propan-2-one?
The IUPAC name of 1-(5-methyltetrazol-2-yl)propan-2-one (CID 1382049) is 1-(5-methyltetrazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-methyltetrazol-2-yl)propan-2-one?
The canonical SMILES for 1-(5-methyltetrazol-2-yl)propan-2-one is CC(=O)Cn1nnc(C)n1.
What is the InChIKey of 1-(5-methyltetrazol-2-yl)propan-2-one?
The InChIKey is IZQDOVVZZNPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4(10)3-9-7-5(2)6-8-9/h3H2,1-2H3.
What are the key properties of 1-(5-methyltetrazol-2-yl)propan-2-one?
1-(5-methyltetrazol-2-yl)propan-2-one has a molecular weight of 140.15 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyltetrazol-2-yl)propan-2-one is sourced from PubChem (CID 1382049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).