formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane

C22H34N6O4 — CID 166530805

IUPACformonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane
SMILESC#N.CCC.CCCCC(=O)Nc1ncnn2c(C3CCC(COC(=O)CN)O3)ccc12
InChIInChI=1S/C18H25N5O4.C3H8.CHN/c1-2-3-4-16(24)22-18-14-7-6-13(23(14)21-11-20-18)15-8-5-12(27-15)10-26-17(25)9-19;1-3-2;1-2/h6-7,11-12,15H,2-5,8-10,19H2,1H3,(H,20,21,22,24);3H2,1-2H3;1H
InChIKeyPFXGIDGZUAMILO-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.14
Rot. Bonds8

About formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane

formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane (PubChem CID 166530805) has the molecular formula C22H34N6O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane.

Molecular Properties

Compound Nameformonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane
PubChem CID166530805
Molecular FormulaC22H34N6O4
Molecular Weight446.55 g/mol
Exact Mass446.26
IUPAC Nameformonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane
SMILESC#N.CCC.CCCCC(=O)Nc1ncnn2c(C3CCC(COC(=O)CN)O3)ccc12
InChIInChI=1S/C18H25N5O4.C3H8.CHN/c1-2-3-4-16(24)22-18-14-7-6-13(23(14)21-11-20-18)15-8-5-12(27-15)10-26-17(25)9-19;1-3-2;1-2/h6-7,11-12,15H,2-5,8-10,19H2,1H3,(H,20,21,22,24);3H2,1-2H3;1H
InChIKeyPFXGIDGZUAMILO-UHFFFAOYSA-N
XLogP3.14
TPSA144.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[4-(3-methylbutanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-methylpropanoate
CID 166530760
ethane;formonitrile;[5-[4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl hydrogen carbonate
CID 169175053
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl acetate
CID 166531010
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl 2-(4,4-dimethylcyclohexyl)acetate;formonitrile
CID 166531208
formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 166531570
[(2S)-5-cyano-5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-cyclohexylacetate
CID 170056942
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl propan-2-yl carbonate;formonitrile;octanedioic acid
CID 169174211
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl ethyl carbonate;propane-1,1-diol
CID 169174248
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;ethane
CID 169174536
7-[[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxycarbonyloxy]heptanoic acid
CID 170228106
[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
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl cyclopentyl carbonate
CID 172567768

Frequently Asked Questions

What is the IUPAC name of formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane?
The IUPAC name of formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane (CID 166530805) is formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane.
What is the SMILES notation for formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane?
The canonical SMILES for formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane is C#N.CCC.CCCCC(=O)Nc1ncnn2c(C3CCC(COC(=O)CN)O3)ccc12.
What is the InChIKey of formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane?
The InChIKey is PFXGIDGZUAMILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4.C3H8.CHN/c1-2-3-4-16(24)22-18-14-7-6-13(23(14)21-11-20-18)15-8-5-12(27-15)10-26-17(25)9-19;1-3-2;1-2/h6-7,11-12,15H,2-5,8-10,19H2,1H3,(H,20,21,22,24);3H2,1-2H3;1H.
What are the key properties of formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane?
formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane has a molecular weight of 446.55 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;[5-[4-(pentanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl 2-aminoacetate;propane is sourced from PubChem (CID 166530805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).