formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide

C19H19N5O3 — CID 166531570

IUPACformonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
SMILESC#N.O=C(Nc1ncnn2c(C3CCC(CO)O3)ccc12)c1ccccc1
InChIInChI=1S/C18H18N4O3.CHN/c23-10-13-6-9-16(25-13)14-7-8-15-17(19-11-20-22(14)15)21-18(24)12-4-2-1-3-5-12;1-2/h1-5,7-8,11,13,16,23H,6,9-10H2,(H,19,20,21,24);1H
InChIKeyDQTVTWAKQJVWRF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.33
Rot. Bonds4

About formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide

formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide (PubChem CID 166531570) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide.

Molecular Properties

Compound Nameformonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
PubChem CID166531570
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Nameformonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
SMILESC#N.O=C(Nc1ncnn2c(C3CCC(CO)O3)ccc12)c1ccccc1
InChIInChI=1S/C18H18N4O3.CHN/c23-10-13-6-9-16(25-13)14-7-8-15-17(19-11-20-22(14)15)21-18(24)12-4-2-1-3-5-12;1-2/h1-5,7-8,11,13,16,23H,6,9-10H2,(H,19,20,21,24);1H
InChIKeyDQTVTWAKQJVWRF-UHFFFAOYSA-N
XLogP2.33
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;formonitrile;[5-[4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl hydrogen carbonate
CID 169175053
N-[7-[(2S,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide;N-[7-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 160515027
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;ethane
CID 169174536
formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane
CID 166530805
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium
CID 169174180
[5-[4-(3-methylbutanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-methylpropanoate
CID 166530760
N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 126585080
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl acetate
CID 166531010
benzoyl chloride;7-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[7-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 160898072
[[(2R,3R,4R,5S)-5-(4-benzamidopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 134168005
N'-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N,N-dimethylmethanimidamide;propane-2,2-diol
CID 172567830
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl 2-pyridin-2-ylpropan-2-yl carbonate;formonitrile
CID 169174143

Frequently Asked Questions

What is the IUPAC name of formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The IUPAC name of formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide (CID 166531570) is formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide.
What is the SMILES notation for formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The canonical SMILES for formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide is C#N.O=C(Nc1ncnn2c(C3CCC(CO)O3)ccc12)c1ccccc1.
What is the InChIKey of formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The InChIKey is DQTVTWAKQJVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3.CHN/c23-10-13-6-9-16(25-13)14-7-8-15-17(19-11-20-22(14)15)21-18(24)12-4-2-1-3-5-12;1-2/h1-5,7-8,11,13,16,23H,6,9-10H2,(H,19,20,21,24);1H.
What are the key properties of formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide?
formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide is sourced from PubChem (CID 166531570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).