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

C5H8N4O — CID 45085583

IUPAC1-(2-methyltetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C5H8N4O/c1-4(10)3-5-6-8-9(2)7-5/h3H2,1-2H3
InChIKeyNZPUQVPWOGVWLI-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.66
Rot. Bonds2

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

1-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 45085583) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID45085583
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-(2-methyltetrazol-5-yl)propan-2-one
SMILESCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C5H8N4O/c1-4(10)3-5-6-8-9(2)7-5/h3H2,1-2H3
InChIKeyNZPUQVPWOGVWLI-UHFFFAOYSA-N
XLogP-0.66
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 ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)propan-2-one (CID 45085583) is 1-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)propan-2-one is CC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is NZPUQVPWOGVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4(10)3-5-6-8-9(2)7-5/h3H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)propan-2-one?
1-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 140.15 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 45085583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).