3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

C18H12FN7 — CID 118592250

IUPAC3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)nnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C18H12FN7/c19-11-7-5-10(6-8-11)12-9-21-26-16(20)15(24-25-18(12)26)17-22-13-3-1-2-4-14(13)23-17/h1-9H,20H2,(H,22,23)
InChIKeyQSFZKANMLQAWCZ-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.06
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 118592250) has the molecular formula C18H12FN7 and a molecular weight of 345.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID118592250
Molecular FormulaC18H12FN7
Molecular Weight345.34 g/mol
Exact Mass345.11
IUPAC Name3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)nnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C18H12FN7/c19-11-7-5-10(6-8-11)12-9-21-26-16(20)15(24-25-18(12)26)17-22-13-3-1-2-4-14(13)23-17/h1-9H,20H2,(H,22,23)
InChIKeyQSFZKANMLQAWCZ-UHFFFAOYSA-N
XLogP3.06
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490709
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CID 1472663
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 130209308
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
CID 68765479
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
CID 168553559
2-(1,5-diphenylpyrazol-4-yl)-1H-benzimidazole
CID 15468395

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 118592250) is 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is Nc1c(-c2nc3ccccc3[nH]2)nnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is QSFZKANMLQAWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN7/c19-11-7-5-10(6-8-11)12-9-21-26-16(20)15(24-25-18(12)26)17-22-13-3-1-2-4-14(13)23-17/h1-9H,20H2,(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 345.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-8-(4-fluorophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 118592250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).