1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one

C11H12N4O — CID 126576417

IUPAC1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one
SMILESC=C(C)c1cccc(-n2nnn(C)c2=O)c1
InChIInChI=1S/C11H12N4O/c1-8(2)9-5-4-6-10(7-9)15-11(16)14(3)12-13-15/h4-7H,1H2,2-3H3
InChIKeyWVLGESAWVSSCFV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.00
Rot. Bonds2

About 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one

1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one (PubChem CID 126576417) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one
PubChem CID126576417
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one
SMILESC=C(C)c1cccc(-n2nnn(C)c2=O)c1
InChIInChI=1S/C11H12N4O/c1-8(2)9-5-4-6-10(7-9)15-11(16)14(3)12-13-15/h4-7H,1H2,2-3H3
InChIKeyWVLGESAWVSSCFV-UHFFFAOYSA-N
XLogP1.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one?
The IUPAC name of 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one (CID 126576417) is 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one?
The canonical SMILES for 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one is C=C(C)c1cccc(-n2nnn(C)c2=O)c1.
What is the InChIKey of 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one?
The InChIKey is WVLGESAWVSSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(2)9-5-4-6-10(7-9)15-11(16)14(3)12-13-15/h4-7H,1H2,2-3H3.
What are the key properties of 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one?
1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one is sourced from PubChem (CID 126576417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).