2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one

C19H20N6O — CID 165152472

IUPAC2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(c1ccccc1)n1cc(-c2nn3ccnc3c(=O)n2C(C)C)cn1
InChIInChI=1S/C19H20N6O/c1-13(2)25-17(22-23-10-9-20-18(23)19(25)26)16-11-21-24(12-16)14(3)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyNCUDTAHYRSZOLS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one

2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 165152472) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID165152472
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(c1ccccc1)n1cc(-c2nn3ccnc3c(=O)n2C(C)C)cn1
InChIInChI=1S/C19H20N6O/c1-13(2)25-17(22-23-10-9-20-18(23)19(25)26)16-11-21-24(12-16)14(3)15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyNCUDTAHYRSZOLS-UHFFFAOYSA-N
XLogP2.94
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16191535
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
CID 53261787
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-3-yl)-7H-pteridin-6-one
CID 53261846
1-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 72943654
7,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-purin-6-one
CID 165415167
1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 165415256
2-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 821814
N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821905
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 974414
N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1H-pyrazol-1-yl)ethanamine
CID 16188402
1-[1-(4-Fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole
CID 46980420

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one (CID 165152472) is 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one is CC(c1ccccc1)n1cc(-c2nn3ccnc3c(=O)n2C(C)C)cn1.
What is the InChIKey of 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NCUDTAHYRSZOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13(2)25-17(22-23-10-9-20-18(23)19(25)26)16-11-21-24(12-16)14(3)15-7-5-4-6-8-15/h4-14H,1-3H3.
What are the key properties of 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one?
2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylethyl)pyrazol-4-yl]-3-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 165152472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).