1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one

C7H12N4O — CID 137470686

IUPAC1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one
SMILESCCn1nnnc1C(=O)C(C)C
InChIInChI=1S/C7H12N4O/c1-4-11-7(8-9-10-11)6(12)5(2)3/h5H,4H2,1-3H3
InChIKeyHAHJPHWTSVZDCE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.53
Rot. Bonds3

About 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one

1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one (PubChem CID 137470686) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one
PubChem CID137470686
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one
SMILESCCn1nnnc1C(=O)C(C)C
InChIInChI=1S/C7H12N4O/c1-4-11-7(8-9-10-11)6(12)5(2)3/h5H,4H2,1-3H3
InChIKeyHAHJPHWTSVZDCE-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one (CID 137470686) is 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one is CCn1nnnc1C(=O)C(C)C.
What is the InChIKey of 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is HAHJPHWTSVZDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-11-7(8-9-10-11)6(12)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one?
1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 168.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltetrazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 137470686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).