4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide

C14H13N7O3 — CID 134354262

IUPAC4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C14H13N7O3/c1-20-13(24)9(8-6-4-3-5-7-8)11(22)10(17-20)12(23)15-14-16-18-19-21(14)2/h3-7,22H,1-2H3,(H,15,16,19,23)
InChIKeyVYRQQHVXHJDKDZ-UHFFFAOYSA-N
MW327.30 g/mol
LogP-0.07
Rot. Bonds3

About 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide

4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide (PubChem CID 134354262) has the molecular formula C14H13N7O3 and a molecular weight of 327.30 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide
PubChem CID134354262
Molecular FormulaC14H13N7O3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(-c2ccccc2)c1O
InChIInChI=1S/C14H13N7O3/c1-20-13(24)9(8-6-4-3-5-7-8)11(22)10(17-20)12(23)15-14-16-18-19-21(14)2/h3-7,22H,1-2H3,(H,15,16,19,23)
InChIKeyVYRQQHVXHJDKDZ-UHFFFAOYSA-N
XLogP-0.07
TPSA127.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide (CID 134354262) is 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide is Cn1nnnc1NC(=O)c1nn(C)c(=O)c(-c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide?
The InChIKey is VYRQQHVXHJDKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O3/c1-20-13(24)9(8-6-4-3-5-7-8)11(22)10(17-20)12(23)15-14-16-18-19-21(14)2/h3-7,22H,1-2H3,(H,15,16,19,23).
What are the key properties of 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide?
4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide has a molecular weight of 327.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 134354262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).