N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine

C21H17N5 — CID 14639450

IUPACN-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine
SMILESCc1ccc(Nc2nn3nc4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C21H17N5/c1-15-11-13-16(14-12-15)22-21-24-26-20(18-9-5-6-10-19(18)23-26)25(21)17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24)
InChIKeyMGICZSUJJWLIPJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.73
Rot. Bonds3

About N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine

N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine (PubChem CID 14639450) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine
PubChem CID14639450
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC NameN-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine
SMILESCc1ccc(Nc2nn3nc4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C21H17N5/c1-15-11-13-16(14-12-15)22-21-24-26-20(18-9-5-6-10-19(18)23-26)25(21)17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24)
InChIKeyMGICZSUJJWLIPJ-UHFFFAOYSA-N
XLogP4.73
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine (CID 14639450) is N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine is Cc1ccc(Nc2nn3nc4ccccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine?
The InChIKey is MGICZSUJJWLIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-15-11-13-16(14-12-15)22-21-24-26-20(18-9-5-6-10-19(18)23-26)25(21)17-7-3-2-4-8-17/h2-14H,1H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine?
N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine has a molecular weight of 339.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-phenyl-[1,2,4]triazolo[1,5-b]indazol-2-amine is sourced from PubChem (CID 14639450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).