2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

C15H13N5O3 — CID 24740245

IUPAC2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc(O)cc1O
InChIInChI=1S/C15H13N5O3/c21-10-1-2-11(12(22)7-10)15(23)17-8-13-18-14(20-19-13)9-3-5-16-6-4-9/h1-7,21-22H,8H2,(H,17,23)(H,18,19,20)
InChIKeyFWGZFIKDLPBQOX-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.21
Rot. Bonds4

About 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 24740245) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID24740245
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc(O)cc1O
InChIInChI=1S/C15H13N5O3/c21-10-1-2-11(12(22)7-10)15(23)17-8-13-18-14(20-19-13)9-3-5-16-6-4-9/h1-7,21-22H,8H2,(H,17,23)(H,18,19,20)
InChIKeyFWGZFIKDLPBQOX-UHFFFAOYSA-N
XLogP1.21
TPSA124.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 24740245) is 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is FWGZFIKDLPBQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c21-10-1-2-11(12(22)7-10)15(23)17-8-13-18-14(20-19-13)9-3-5-16-6-4-9/h1-7,21-22H,8H2,(H,17,23)(H,18,19,20).
What are the key properties of 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 311.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 24740245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).