1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone

C8H12N4O — CID 107044560

IUPAC1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2nnn(C)n2)CC1
InChIInChI=1S/C8H12N4O/c1-6(13)8(3-4-8)5-7-9-11-12(2)10-7/h3-5H2,1-2H3
InChIKeyFVGJOQHKIZCKEP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds3

About 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone

1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone (PubChem CID 107044560) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone
PubChem CID107044560
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2nnn(C)n2)CC1
InChIInChI=1S/C8H12N4O/c1-6(13)8(3-4-8)5-7-9-11-12(2)10-7/h3-5H2,1-2H3
InChIKeyFVGJOQHKIZCKEP-UHFFFAOYSA-N
XLogP0.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone 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-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone (CID 107044560) is 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2nnn(C)n2)CC1.
What is the InChIKey of 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone?
The InChIKey is FVGJOQHKIZCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(13)8(3-4-8)5-7-9-11-12(2)10-7/h3-5H2,1-2H3.
What are the key properties of 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone?
1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone has a molecular weight of 180.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyltetrazol-5-yl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 107044560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).