N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide

C22H16N6O — CID 20789116

IUPACN-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccccc1
InChIInChI=1S/C22H16N6O/c29-22(15-4-2-1-3-5-15)25-17-9-6-14(7-10-17)20-18-12-16(21-23-13-24-28-21)8-11-19(18)26-27-20/h1-13H,(H,25,29)(H,26,27)(H,23,24,28)
InChIKeyQCMJZEZOUONFPQ-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.27
Rot. Bonds4

About N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide

N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide (PubChem CID 20789116) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
PubChem CID20789116
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC NameN-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccccc1
InChIInChI=1S/C22H16N6O/c29-22(15-4-2-1-3-5-15)25-17-9-6-14(7-10-17)20-18-12-16(21-23-13-24-28-21)8-11-19(18)26-27-20/h1-13H,(H,25,29)(H,26,27)(H,23,24,28)
InChIKeyQCMJZEZOUONFPQ-UHFFFAOYSA-N
XLogP4.27
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The IUPAC name of N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide (CID 20789116) is N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The InChIKey is QCMJZEZOUONFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c29-22(15-4-2-1-3-5-15)25-17-9-6-14(7-10-17)20-18-12-16(21-23-13-24-28-21)8-11-19(18)26-27-20/h1-13H,(H,25,29)(H,26,27)(H,23,24,28).
What are the key properties of N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 20789116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).