1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol

C8H9ClN4O — CID 143458596

IUPAC1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
SMILESNc1ncnn2c(C(O)CCl)ccc12
InChIInChI=1S/C8H9ClN4O/c9-3-7(14)5-1-2-6-8(10)11-4-12-13(5)6/h1-2,4,7,14H,3H2,(H2,10,11,12)
InChIKeyRCSWXEBZZCUOHU-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.58
Rot. Bonds2

About 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol (PubChem CID 143458596) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol.

Molecular Properties

Compound Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
PubChem CID143458596
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
SMILESNc1ncnn2c(C(O)CCl)ccc12
InChIInChI=1S/C8H9ClN4O/c9-3-7(14)5-1-2-6-8(10)11-4-12-13(5)6/h1-2,4,7,14H,3H2,(H2,10,11,12)
InChIKeyRCSWXEBZZCUOHU-UHFFFAOYSA-N
XLogP0.58
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
2-amino-1-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 83883671
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089
2-amino-2-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 112714004
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
CID 58529282
(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one
CID 121313180
[(1S,2S)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-methoxy-1,4-bis(propan-2-yloxycarbonyloxy)butan-2-yl] propan-2-yl carbonate
CID 176922661
[(2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-(cyanomethoxy)-3,4-di(propanoyloxy)butyl] propanoate
CID 174001154
7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 134608174
5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol
CID 126719126

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol?
The IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol (CID 143458596) is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol.
What is the SMILES notation for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol?
The canonical SMILES for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol is Nc1ncnn2c(C(O)CCl)ccc12.
What is the InChIKey of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol?
The InChIKey is RCSWXEBZZCUOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c9-3-7(14)5-1-2-6-8(10)11-4-12-13(5)6/h1-2,4,7,14H,3H2,(H2,10,11,12).
What are the key properties of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol?
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol has a molecular weight of 212.64 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol is sourced from PubChem (CID 143458596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).