1-(2-methyltetrazol-5-yl)pentan-3-one

C7H12N4O — CID 107044505

IUPAC1-(2-methyltetrazol-5-yl)pentan-3-one
SMILESCCC(=O)CCc1nnn(C)n1
InChIInChI=1S/C7H12N4O/c1-3-6(12)4-5-7-8-10-11(2)9-7/h3-5H2,1-2H3
InChIKeyYKKLQUAZNAWKBE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.12
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)pentan-3-one

1-(2-methyltetrazol-5-yl)pentan-3-one (PubChem CID 107044505) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)pentan-3-one
PubChem CID107044505
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-(2-methyltetrazol-5-yl)pentan-3-one
SMILESCCC(=O)CCc1nnn(C)n1
InChIInChI=1S/C7H12N4O/c1-3-6(12)4-5-7-8-10-11(2)9-7/h3-5H2,1-2H3
InChIKeyYKKLQUAZNAWKBE-UHFFFAOYSA-N
XLogP0.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5,5-Trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047296
1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
1-(2-Methyltetrazol-5-yl)propan-2-one
CID 45085583
3,3-Dimethyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 69535159
1-(2-Ethyltetrazol-5-yl)propan-2-one
CID 84763480
1-(2-Methyltetrazol-5-yl)butan-2-one
CID 107046878
1-(2H-tetrazol-5-yl)pentan-3-one
CID 140160284
4-(1H-1,2,3,4-tetrazol-5-yl)butan-2-one
CID 153761382
Ethane;methanamine;5-(2-methyltetrazol-5-yl)pentan-2-one
CID 172238397
1-(2-Propyltetrazol-5-yl)propan-2-one
CID 84765417
4-(2-Methyltetrazol-5-yl)butan-2-one
CID 107044500
1-(2-Methyltetrazol-5-yl)hexan-3-one
CID 107044501

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)pentan-3-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)pentan-3-one (CID 107044505) is 1-(2-methyltetrazol-5-yl)pentan-3-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)pentan-3-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)pentan-3-one is CCC(=O)CCc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)pentan-3-one?
The InChIKey is YKKLQUAZNAWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-6(12)4-5-7-8-10-11(2)9-7/h3-5H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)pentan-3-one?
1-(2-methyltetrazol-5-yl)pentan-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.12, 4 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)pentan-3-one is sourced from PubChem (CID 107044505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).