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

C6H10N4O — CID 84763480

IUPAC1-(2-ethyltetrazol-5-yl)propan-2-one
SMILESCCn1nnc(CC(C)=O)n1
InChIInChI=1S/C6H10N4O/c1-3-10-8-6(7-9-10)4-5(2)11/h3-4H2,1-2H3
InChIKeyBBVZTIGEOPTEKG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.18
Rot. Bonds3

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

1-(2-ethyltetrazol-5-yl)propan-2-one (PubChem CID 84763480) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-ethyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethyltetrazol-5-yl)propan-2-one
PubChem CID84763480
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-(2-ethyltetrazol-5-yl)propan-2-one
SMILESCCn1nnc(CC(C)=O)n1
InChIInChI=1S/C6H10N4O/c1-3-10-8-6(7-9-10)4-5(2)11/h3-4H2,1-2H3
InChIKeyBBVZTIGEOPTEKG-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-ethyltetrazol-5-yl)propan-2-one (CID 84763480) is 1-(2-ethyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-ethyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-ethyltetrazol-5-yl)propan-2-one is CCn1nnc(CC(C)=O)n1.
What is the InChIKey of 1-(2-ethyltetrazol-5-yl)propan-2-one?
The InChIKey is BBVZTIGEOPTEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-10-8-6(7-9-10)4-5(2)11/h3-4H2,1-2H3.
What are the key properties of 1-(2-ethyltetrazol-5-yl)propan-2-one?
1-(2-ethyltetrazol-5-yl)propan-2-one has a molecular weight of 154.17 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 84763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).