N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide

C17H17N5O4 — CID 168818377

IUPACN-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
SMILESO=C(Nc1ncnn2c(C3(CO)CC(O)CO3)cnc12)c1ccccc1
InChIInChI=1S/C17H17N5O4/c23-9-17(6-12(24)8-26-17)13-7-18-15-14(19-10-20-22(13)15)21-16(25)11-4-2-1-3-5-11/h1-5,7,10,12,23-24H,6,8-9H2,(H,19,20,21,25)
InChIKeyHHWQJPUBTYVEEV-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.35
Rot. Bonds4

About N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide

N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide (PubChem CID 168818377) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
PubChem CID168818377
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
SMILESO=C(Nc1ncnn2c(C3(CO)CC(O)CO3)cnc12)c1ccccc1
InChIInChI=1S/C17H17N5O4/c23-9-17(6-12(24)8-26-17)13-7-18-15-14(19-10-20-22(13)15)21-16(25)11-4-2-1-3-5-11/h1-5,7,10,12,23-24H,6,8-9H2,(H,19,20,21,25)
InChIKeyHHWQJPUBTYVEEV-UHFFFAOYSA-N
XLogP0.35
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The IUPAC name of N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide (CID 168818377) is N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide.
What is the SMILES notation for N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The canonical SMILES for N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide is O=C(Nc1ncnn2c(C3(CO)CC(O)CO3)cnc12)c1ccccc1.
What is the InChIKey of N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The InChIKey is HHWQJPUBTYVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c23-9-17(6-12(24)8-26-17)13-7-18-15-14(19-10-20-22(13)15)21-16(25)11-4-2-1-3-5-11/h1-5,7,10,12,23-24H,6,8-9H2,(H,19,20,21,25).
What are the key properties of N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide has a molecular weight of 355.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide is sourced from PubChem (CID 168818377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).