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

C7H12N4O — CID 63550163

IUPAC2-(1-methyltetrazol-5-yl)pentan-3-one
SMILESCCC(=O)C(C)c1nnnn1C
InChIInChI=1S/C7H12N4O/c1-4-6(12)5(2)7-8-9-10-11(7)3/h5H,4H2,1-3H3
InChIKeySVZPBYRBRZXEMT-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.29
Rot. Bonds3

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

2-(1-methyltetrazol-5-yl)pentan-3-one (PubChem CID 63550163) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)pentan-3-one
PubChem CID63550163
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(1-methyltetrazol-5-yl)pentan-3-one
SMILESCCC(=O)C(C)c1nnnn1C
InChIInChI=1S/C7H12N4O/c1-4-6(12)5(2)7-8-9-10-11(7)3/h5H,4H2,1-3H3
InChIKeySVZPBYRBRZXEMT-UHFFFAOYSA-N
XLogP0.29
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)pentan-3-one?
The IUPAC name of 2-(1-methyltetrazol-5-yl)pentan-3-one (CID 63550163) is 2-(1-methyltetrazol-5-yl)pentan-3-one.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)pentan-3-one?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)pentan-3-one is CCC(=O)C(C)c1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)pentan-3-one?
The InChIKey is SVZPBYRBRZXEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-6(12)5(2)7-8-9-10-11(7)3/h5H,4H2,1-3H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)pentan-3-one?
2-(1-methyltetrazol-5-yl)pentan-3-one has a molecular weight of 168.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)pentan-3-one is sourced from PubChem (CID 63550163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).