7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C13H20N4O — CID 143861213

IUPAC7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC(C)CC(C)(C)c1ccc2c(N)ncnn12
InChIInChI=1S/C13H20N4O/c1-9(18-4)7-13(2,3)11-6-5-10-12(14)15-8-16-17(10)11/h5-6,8-9H,7H2,1-4H3,(H2,14,15,16)
InChIKeyZUYOHJRDOPEEQQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds4

About 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 143861213) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID143861213
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOC(C)CC(C)(C)c1ccc2c(N)ncnn12
InChIInChI=1S/C13H20N4O/c1-9(18-4)7-13(2,3)11-6-5-10-12(14)15-8-16-17(10)11/h5-6,8-9H,7H2,1-4H3,(H2,14,15,16)
InChIKeyZUYOHJRDOPEEQQ-UHFFFAOYSA-N
XLogP2.01
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
CID 145074462
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-phenylmethoxyhexane-2,5-diol
CID 126719126
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
[(3S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-2-methoxybutyl] 2-methylpropanoate
CID 170613971
S-[2-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutoxy]-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphanyl]oxyethyl] 2,2-dimethylpropanethioate
CID 170209363
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)acetate
CID 166517927
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] butanoate;chloromethane
CID 169174496
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] butanoate
CID 169174457
[(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
methyl 2-[[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutoxy]-(4-tert-butylphenoxy)phosphanyl]amino]acetate
CID 166913945

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 143861213) is 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COC(C)CC(C)(C)c1ccc2c(N)ncnn12.
What is the InChIKey of 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZUYOHJRDOPEEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(18-4)7-13(2,3)11-6-5-10-12(14)15-8-16-17(10)11/h5-6,8-9H,7H2,1-4H3,(H2,14,15,16).
What are the key properties of 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143861213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).