N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide

C16H12N6O2 — CID 167757257

IUPACN-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1n[nH]c2cc(O)ccc12)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H12N6O2/c23-11-6-7-12-13(8-11)19-20-15(12)18-16(24)14-9-17-22(21-14)10-4-2-1-3-5-10/h1-9,23H,(H2,18,19,20,24)
InChIKeyKWKLCCFBEAXMSJ-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.10
Rot. Bonds3

About N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide

N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 167757257) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide
PubChem CID167757257
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC NameN-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1n[nH]c2cc(O)ccc12)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H12N6O2/c23-11-6-7-12-13(8-11)19-20-15(12)18-16(24)14-9-17-22(21-14)10-4-2-1-3-5-10/h1-9,23H,(H2,18,19,20,24)
InChIKeyKWKLCCFBEAXMSJ-UHFFFAOYSA-N
XLogP2.10
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide (CID 167757257) is N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide is O=C(Nc1n[nH]c2cc(O)ccc12)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is KWKLCCFBEAXMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c23-11-6-7-12-13(8-11)19-20-15(12)18-16(24)14-9-17-22(21-14)10-4-2-1-3-5-10/h1-9,23H,(H2,18,19,20,24).
What are the key properties of N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide?
N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-1H-indazol-3-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 167757257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).