N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide

C20H18N6O — CID 58712008

IUPACN-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C20H18N6O/c1-13-18-12-21-20(24-17-10-8-16(9-11-17)23-14(2)27)25-26(18)19(22-13)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H,24,25)
InChIKeyNUHOZGDFFQEYEZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.80
Rot. Bonds4

About N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide

N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide (PubChem CID 58712008) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide
PubChem CID58712008
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C20H18N6O/c1-13-18-12-21-20(24-17-10-8-16(9-11-17)23-14(2)27)25-26(18)19(22-13)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H,24,25)
InChIKeyNUHOZGDFFQEYEZ-UHFFFAOYSA-N
XLogP3.80
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide (CID 58712008) is N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide?
The InChIKey is NUHOZGDFFQEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13-18-12-21-20(24-17-10-8-16(9-11-17)23-14(2)27)25-26(18)19(22-13)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide?
N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 58712008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).