1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one

C15H20N4O — CID 134331825

IUPAC1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one
SMILESCc1cc(C2CC2)c(-n2nnn(C)c2=O)cc1C(C)C
InChIInChI=1S/C15H20N4O/c1-9(2)12-8-14(19-15(20)18(4)16-17-19)13(7-10(12)3)11-5-6-11/h7-9,11H,5-6H2,1-4H3
InChIKeyXXADGFFWGQQNHG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one

1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one (PubChem CID 134331825) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one
PubChem CID134331825
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one
SMILESCc1cc(C2CC2)c(-n2nnn(C)c2=O)cc1C(C)C
InChIInChI=1S/C15H20N4O/c1-9(2)12-8-14(19-15(20)18(4)16-17-19)13(7-10(12)3)11-5-6-11/h7-9,11H,5-6H2,1-4H3
InChIKeyXXADGFFWGQQNHG-UHFFFAOYSA-N
XLogP2.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one (CID 134331825) is 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one is Cc1cc(C2CC2)c(-n2nnn(C)c2=O)cc1C(C)C.
What is the InChIKey of 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one?
The InChIKey is XXADGFFWGQQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)12-8-14(19-15(20)18(4)16-17-19)13(7-10(12)3)11-5-6-11/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one?
1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one has a molecular weight of 272.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-4-methyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 134331825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).