[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol

C18H16N8O — CID 146387175

IUPAC[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
SMILESNc1nc(-c2ccccc2)c(-c2ccc3c(c2)NNN3)c2nc(CO)nn12
InChIInChI=1S/C18H16N8O/c19-18-21-16(10-4-2-1-3-5-10)15(17-20-14(9-27)24-26(17)18)11-6-7-12-13(8-11)23-25-22-12/h1-8,22-23,25,27H,9H2,(H2,19,21)
InChIKeyLEYXRTKPLCOTRR-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.79
Rot. Bonds3

About [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol

[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (PubChem CID 146387175) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
PubChem CID146387175
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
SMILESNc1nc(-c2ccccc2)c(-c2ccc3c(c2)NNN3)c2nc(CO)nn12
InChIInChI=1S/C18H16N8O/c19-18-21-16(10-4-2-1-3-5-10)15(17-20-14(9-27)24-26(17)18)11-6-7-12-13(8-11)23-25-22-12/h1-8,22-23,25,27H,9H2,(H2,19,21)
InChIKeyLEYXRTKPLCOTRR-UHFFFAOYSA-N
XLogP1.79
TPSA125.42 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387201
5-[5-amino-7-phenyl-2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821340
2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821361
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490637
5-[5-amino-2-[(3-chloro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821431
6-[[5-amino-7-(4-fluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl]pyridine-2-carbonitrile
CID 146490861
2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387216
[5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 161080827
2-[(5-fluoro-2-pyridinyl)methyl]-8-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821407
2-[(3E,5Z)-3-fluoro-2-methylidenehepta-3,5-dienyl]-7-(4-fluorophenyl)-8-[2-(methylamino)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490889
8-(3-amino-4-diazenylphenyl)-2-ethyl-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387238

Frequently Asked Questions

What is the IUPAC name of [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
The IUPAC name of [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (CID 146387175) is [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
The canonical SMILES for [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol is Nc1nc(-c2ccccc2)c(-c2ccc3c(c2)NNN3)c2nc(CO)nn12.
What is the InChIKey of [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
The InChIKey is LEYXRTKPLCOTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c19-18-21-16(10-4-2-1-3-5-10)15(17-20-14(9-27)24-26(17)18)11-6-7-12-13(8-11)23-25-22-12/h1-8,22-23,25,27H,9H2,(H2,19,21).
What are the key properties of [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol?
[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol has a molecular weight of 360.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 146387175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).