N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C24H17N7 — CID 71721651

IUPACN-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESc1ccc(-c2ccccc2-c2nccn3nc(Nc4ccc5cn[nH]c5c4)nc23)cc1
InChIInChI=1S/C24H17N7/c1-2-6-16(7-3-1)19-8-4-5-9-20(19)22-23-28-24(30-31(23)13-12-25-22)27-18-11-10-17-15-26-29-21(17)14-18/h1-15H,(H,26,29)(H,27,30)
InChIKeyOOBVRCKYHLWUQM-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.08
Rot. Bonds4

About N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 71721651) has the molecular formula C24H17N7 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID71721651
Molecular FormulaC24H17N7
Molecular Weight403.45 g/mol
Exact Mass403.15
IUPAC NameN-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESc1ccc(-c2ccccc2-c2nccn3nc(Nc4ccc5cn[nH]c5c4)nc23)cc1
InChIInChI=1S/C24H17N7/c1-2-6-16(7-3-1)19-8-4-5-9-20(19)22-23-28-24(30-31(23)13-12-25-22)27-18-11-10-17-15-26-29-21(17)14-18/h1-15H,(H,26,29)(H,27,30)
InChIKeyOOBVRCKYHLWUQM-UHFFFAOYSA-N
XLogP5.08
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 71721651) is N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is c1ccc(-c2ccccc2-c2nccn3nc(Nc4ccc5cn[nH]c5c4)nc23)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is OOBVRCKYHLWUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7/c1-2-6-16(7-3-1)19-8-4-5-9-20(19)22-23-28-24(30-31(23)13-12-25-22)27-18-11-10-17-15-26-29-21(17)14-18/h1-15H,(H,26,29)(H,27,30).
What are the key properties of N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 403.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-8-(2-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 71721651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).