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

C6H10N4O — CID 127004791

IUPAC1-(2-methyltetrazol-5-yl)butan-1-one
SMILESCCCC(=O)c1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-3-4-5(11)6-7-9-10(2)8-6/h3-4H2,1-2H3
InChIKeyIPSAUPGNQUJCHR-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.19
Rot. Bonds3

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

1-(2-methyltetrazol-5-yl)butan-1-one (PubChem CID 127004791) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)butan-1-one
PubChem CID127004791
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-(2-methyltetrazol-5-yl)butan-1-one
SMILESCCCC(=O)c1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-3-4-5(11)6-7-9-10(2)8-6/h3-4H2,1-2H3
InChIKeyIPSAUPGNQUJCHR-UHFFFAOYSA-N
XLogP0.19
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-Difluoro-1-(2-methyltetrazol-5-yl)propan-1-one
CID 127004623
4,4,4-trifluoro-1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)butane-1,3-dione
CID 165483879
1-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)ethan-1-one
CID 45085223
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
1-(2-Propan-2-yltetrazol-5-yl)ethanone
CID 58973044
2-Methyl-1-(2-methyltetrazol-5-yl)propan-1-one
CID 68374744
1-(2-Ethyltetrazol-5-yl)ethanone
CID 84762601
1-(2-Ethyltetrazol-5-yl)propan-2-one
CID 84763480
1-[2-(2-Methylpropyl)tetrazol-5-yl]ethanone
CID 84765418
1-(2-Methyltetrazol-5-yl)butan-2-one
CID 107046878
3-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
CID 137470716
sodium;hydride;1-(2H-tetrazol-5-yl)butan-1-one
CID 174533237

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)butan-1-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)butan-1-one (CID 127004791) is 1-(2-methyltetrazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)butan-1-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)butan-1-one is CCCC(=O)c1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)butan-1-one?
The InChIKey is IPSAUPGNQUJCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-4-5(11)6-7-9-10(2)8-6/h3-4H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)butan-1-one?
1-(2-methyltetrazol-5-yl)butan-1-one has a molecular weight of 154.17 g/mol, XLogP of 0.19, 3 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)butan-1-one is sourced from PubChem (CID 127004791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).