5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol

C19H24N4O3 — CID 126719126

IUPAC5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol
SMILESCC(O)(CCC(O)COCc1ccccc1)c1ccc2c(N)ncnn12
InChIInChI=1S/C19H24N4O3/c1-19(25,17-8-7-16-18(20)21-13-22-23(16)17)10-9-15(24)12-26-11-14-5-3-2-4-6-14/h2-8,13,15,24-25H,9-12H2,1H3,(H2,20,21,22)
InChIKeyUSNAHYQETORZHS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.88
Rot. Bonds8

About 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol

5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol (PubChem CID 126719126) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol.

Molecular Properties

Compound Name5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol
PubChem CID126719126
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol
SMILESCC(O)(CCC(O)COCc1ccccc1)c1ccc2c(N)ncnn12
InChIInChI=1S/C19H24N4O3/c1-19(25,17-8-7-16-18(20)21-13-22-23(16)17)10-9-15(24)12-26-11-14-5-3-2-4-6-14/h2-8,13,15,24-25H,9-12H2,1H3,(H2,20,21,22)
InChIKeyUSNAHYQETORZHS-UHFFFAOYSA-N
XLogP1.88
TPSA105.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxy-5-phenylmethoxypentan-1-one;methoxymethylbenzene
CID 145074475
(2S,3R,4R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-methyl-1,3,4-tris(phenylmethoxy)hept-6-ene-2,5-diol
CID 174087095
(2R,3R,4S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 166743707
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(2R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxy-2,4,5-tris(phenylmethoxy)pentan-1-one
CID 167227998
7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143861213
(3S,4S,5R)-5-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]-3,4,6-tris(phenylmethoxy)hexanenitrile
CID 134443516
(2S,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-ol;(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-methyl-3-phenylmethoxyheptane-2,5-diol
CID 159463482
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol?
The IUPAC name of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol (CID 126719126) is 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol.
What is the SMILES notation for 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol?
The canonical SMILES for 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol is CC(O)(CCC(O)COCc1ccccc1)c1ccc2c(N)ncnn12.
What is the InChIKey of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol?
The InChIKey is USNAHYQETORZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(25,17-8-7-16-18(20)21-13-22-23(16)17)10-9-15(24)12-26-11-14-5-3-2-4-6-14/h2-8,13,15,24-25H,9-12H2,1H3,(H2,20,21,22).
What are the key properties of 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol?
5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol has a molecular weight of 356.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol is sourced from PubChem (CID 126719126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).