8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C19H14N6 — CID 159854685

IUPAC8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccc3c(c2)C=NC3)c2nncn12
InChIInChI=1S/C19H14N6/c20-19-23-17(12-4-2-1-3-5-12)16(18-24-22-11-25(18)19)13-6-7-14-9-21-10-15(14)8-13/h1-8,10-11H,9H2,(H2,20,23)
InChIKeyQQKOKNJQKXAEPJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.97
Rot. Bonds2

About 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 159854685) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID159854685
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccc3c(c2)C=NC3)c2nncn12
InChIInChI=1S/C19H14N6/c20-19-23-17(12-4-2-1-3-5-12)16(18-24-22-11-25(18)19)13-6-7-14-9-21-10-15(14)8-13/h1-8,10-11H,9H2,(H2,20,23)
InChIKeyQQKOKNJQKXAEPJ-UHFFFAOYSA-N
XLogP2.97
TPSA81.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,6-diethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 146266618
5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carbonitrile
CID 142426975
8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427017
7-(4-chlorophenyl)-8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427006
8-bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 146266600
5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 20816924
1-N-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-phenylpropane-1,2-diamine
CID 22346572
8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427007
7,8-diphenyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 141275469
7-(4-chloro-2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142426966
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387201
ethyl 5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 153338422

Frequently Asked Questions

What is the IUPAC name of 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 159854685) is 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Nc1nc(-c2ccccc2)c(-c2ccc3c(c2)C=NC3)c2nncn12.
What is the InChIKey of 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is QQKOKNJQKXAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c20-19-23-17(12-4-2-1-3-5-12)16(18-24-22-11-25(18)19)13-6-7-14-9-21-10-15(14)8-13/h1-8,10-11H,9H2,(H2,20,23).
What are the key properties of 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 326.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-isoindol-5-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 159854685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).