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

C15H13N5O2 — CID 25106982

IUPAC2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1O
InChIInChI=1S/C15H13N5O2/c21-12-4-2-1-3-11(12)15(22)17-9-13-18-14(20-19-13)10-5-7-16-8-6-10/h1-8,21H,9H2,(H,17,22)(H,18,19,20)
InChIKeySVZRRXRWNVFUKD-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.50
Rot. Bonds4

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

2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 25106982) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID25106982
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1O
InChIInChI=1S/C15H13N5O2/c21-12-4-2-1-3-11(12)15(22)17-9-13-18-14(20-19-13)10-5-7-16-8-6-10/h1-8,21H,9H2,(H,17,22)(H,18,19,20)
InChIKeySVZRRXRWNVFUKD-UHFFFAOYSA-N
XLogP1.50
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 25106982) is 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is SVZRRXRWNVFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-12-4-2-1-3-11(12)15(22)17-9-13-18-14(20-19-13)10-5-7-16-8-6-10/h1-8,21H,9H2,(H,17,22)(H,18,19,20).
What are the key properties of 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 295.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 25106982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).