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

C6H10N4O — CID 107046878

IUPAC1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-3-5(11)4-6-7-9-10(2)8-6/h3-4H2,1-2H3
InChIKeyUGWYPGWSFOMZEN-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.27
Rot. Bonds3

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

1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107046878) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107046878
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-3-5(11)4-6-7-9-10(2)8-6/h3-4H2,1-2H3
InChIKeyUGWYPGWSFOMZEN-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-Trifluoro-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107046920
1,1,1-Trifluoro-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047003
5,5,5-Trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047296
1,1-Difluoro-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047434
3,3,4,4-Tetrafluoro-1-(2-methyltetrazol-5-yl)butan-2-one
CID 108053652
3,3,4,4,4-Pentafluoro-1-(2-methyltetrazol-5-yl)butan-2-one
CID 108096072
1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
3,3-Dimethyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 11816240
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
3-(2-Methyltetrazol-5-yl)butan-2-one
CID 57907385
1-(2H-tetrazol-5-yl)butan-2-one
CID 67725109
1-(2-Ethyltetrazol-5-yl)propan-2-one
CID 84763480

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)butan-2-one (CID 107046878) is 1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)butan-2-one is CCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is UGWYPGWSFOMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-5(11)4-6-7-9-10(2)8-6/h3-4H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)butan-2-one?
1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.27, 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-2-one is sourced from PubChem (CID 107046878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).