4-(2-methyltetrazol-5-yl)butan-2-one

C6H10N4O — CID 107044500

IUPAC4-(2-methyltetrazol-5-yl)butan-2-one
SMILESCC(=O)CCc1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-5(11)3-4-6-7-9-10(2)8-6/h3-4H2,1-2H3
InChIKeyWHGQHSYIULYMBZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.27
Rot. Bonds3

About 4-(2-methyltetrazol-5-yl)butan-2-one

4-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107044500) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107044500
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-(2-methyltetrazol-5-yl)butan-2-one
SMILESCC(=O)CCc1nnn(C)n1
InChIInChI=1S/C6H10N4O/c1-5(11)3-4-6-7-9-10(2)8-6/h3-4H2,1-2H3
InChIKeyWHGQHSYIULYMBZ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 4-(2-methyltetrazol-5-yl)butan-2-one (CID 107044500) is 4-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)butan-2-one is CC(=O)CCc1nnn(C)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is WHGQHSYIULYMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(11)3-4-6-7-9-10(2)8-6/h3-4H2,1-2H3.
What are the key properties of 4-(2-methyltetrazol-5-yl)butan-2-one?
4-(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 4-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107044500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).