1-(3-methoxyphenyl)-4-methyltetrazol-5-one

C9H10N4O2 — CID 90215452

IUPAC1-(3-methoxyphenyl)-4-methyltetrazol-5-one
SMILESCOc1cccc(-n2nnn(C)c2=O)c1
InChIInChI=1S/C9H10N4O2/c1-12-9(14)13(11-10-12)7-4-3-5-8(6-7)15-2/h3-6H,1-2H3
InChIKeyBPLSUENVEOWETQ-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.03
Rot. Bonds2

About 1-(3-methoxyphenyl)-4-methyltetrazol-5-one

1-(3-methoxyphenyl)-4-methyltetrazol-5-one (PubChem CID 90215452) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-methyltetrazol-5-one
PubChem CID90215452
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-(3-methoxyphenyl)-4-methyltetrazol-5-one
SMILESCOc1cccc(-n2nnn(C)c2=O)c1
InChIInChI=1S/C9H10N4O2/c1-12-9(14)13(11-10-12)7-4-3-5-8(6-7)15-2/h3-6H,1-2H3
InChIKeyBPLSUENVEOWETQ-UHFFFAOYSA-N
XLogP-0.03
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-methyltetrazol-5-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-methyltetrazol-5-one (CID 90215452) is 1-(3-methoxyphenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-methyltetrazol-5-one is COc1cccc(-n2nnn(C)c2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-methyltetrazol-5-one?
The InChIKey is BPLSUENVEOWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12-9(14)13(11-10-12)7-4-3-5-8(6-7)15-2/h3-6H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-methyltetrazol-5-one?
1-(3-methoxyphenyl)-4-methyltetrazol-5-one has a molecular weight of 206.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-methyltetrazol-5-one is sourced from PubChem (CID 90215452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).