N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C18H13N7 — CID 59276547

IUPACN-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccc(-c2cccc3nc(Nc4ccc5n[nH]nc5c4)nn23)cc1
InChIInChI=1S/C18H13N7/c1-2-5-12(6-3-1)16-7-4-8-17-20-18(23-25(16)17)19-13-9-10-14-15(11-13)22-24-21-14/h1-11H,(H,19,23)(H,21,22,24)
InChIKeyMJQOKBVEZZJMDJ-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.41
Rot. Bonds3

About N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276547) has the molecular formula C18H13N7 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276547
Molecular FormulaC18H13N7
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC NameN-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccc(-c2cccc3nc(Nc4ccc5n[nH]nc5c4)nn23)cc1
InChIInChI=1S/C18H13N7/c1-2-5-12(6-3-1)16-7-4-8-17-20-18(23-25(16)17)19-13-9-10-14-15(11-13)22-24-21-14/h1-11H,(H,19,23)(H,21,22,24)
InChIKeyMJQOKBVEZZJMDJ-UHFFFAOYSA-N
XLogP3.41
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276547) is N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1ccc(-c2cccc3nc(Nc4ccc5n[nH]nc5c4)nn23)cc1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MJQOKBVEZZJMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7/c1-2-5-12(6-3-1)16-7-4-8-17-20-18(23-25(16)17)19-13-9-10-14-15(11-13)22-24-21-14/h1-11H,(H,19,23)(H,21,22,24).
What are the key properties of N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 327.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).