4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide

C19H13N7O — CID 145011141

IUPAC4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
SMILESN#Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)c3c(N)ncnn23)c1
InChIInChI=1S/C19H13N7O/c20-9-11-2-1-3-14(8-11)19-25-15(16-17(21)23-10-24-26(16)19)12-4-6-13(7-5-12)18(22)27/h1-8,10H,(H2,22,27)(H2,21,23,24)
InChIKeyQLOGTAQJHYLZCU-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.01
Rot. Bonds3

About 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide

4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide (PubChem CID 145011141) has the molecular formula C19H13N7O and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
PubChem CID145011141
Molecular FormulaC19H13N7O
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide
SMILESN#Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)c3c(N)ncnn23)c1
InChIInChI=1S/C19H13N7O/c20-9-11-2-1-3-14(8-11)19-25-15(16-17(21)23-10-24-26(16)19)12-4-6-13(7-5-12)18(22)27/h1-8,10H,(H2,22,27)(H2,21,23,24)
InChIKeyQLOGTAQJHYLZCU-UHFFFAOYSA-N
XLogP2.01
TPSA135.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
The IUPAC name of 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide (CID 145011141) is 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide.
What is the SMILES notation for 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
The canonical SMILES for 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide is N#Cc1cccc(-c2nc(-c3ccc(C(N)=O)cc3)c3c(N)ncnn23)c1.
What is the InChIKey of 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
The InChIKey is QLOGTAQJHYLZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O/c20-9-11-2-1-3-14(8-11)19-25-15(16-17(21)23-10-24-26(16)19)12-4-6-13(7-5-12)18(22)27/h1-8,10H,(H2,22,27)(H2,21,23,24).
What are the key properties of 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide?
4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide has a molecular weight of 355.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-(3-cyanophenyl)imidazo[5,1-f][1,2,4]triazin-5-yl]benzamide is sourced from PubChem (CID 145011141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).