4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine

C12H16N4O — CID 145420374

IUPAC4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
SMILESCc1nc(N2CCOCC2)c2ccc(C)n2n1
InChIInChI=1S/C12H16N4O/c1-9-3-4-11-12(13-10(2)14-16(9)11)15-5-7-17-8-6-15/h3-4H,5-8H2,1-2H3
InChIKeyTUTQUIXNAUQUFN-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.18
Rot. Bonds1

About 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine

4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine (PubChem CID 145420374) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
PubChem CID145420374
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
SMILESCc1nc(N2CCOCC2)c2ccc(C)n2n1
InChIInChI=1S/C12H16N4O/c1-9-3-4-11-12(13-10(2)14-16(9)11)15-5-7-17-8-6-15/h3-4H,5-8H2,1-2H3
InChIKeyTUTQUIXNAUQUFN-UHFFFAOYSA-N
XLogP1.18
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-chloro-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]morpholine
CID 147061200
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
2-[2-(4-aminophenyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol
CID 145420416
4-[6-(4-fluorophenyl)-3-methyl-1,2,4-triazin-5-yl]morpholine
CID 6405048
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
CID 166164666
CID 166164666
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
4-(2-fluorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-5-amine
CID 83286313
4-(3-methylimidazo[1,5-a]pyrazin-8-yl)morpholine
CID 53172232
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
5-methyl-4,6-dimorpholin-4-ylpyrimidin-2-amine;dihydrochloride
CID 121396239

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine?
The IUPAC name of 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine (CID 145420374) is 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine.
What is the SMILES notation for 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine?
The canonical SMILES for 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine is Cc1nc(N2CCOCC2)c2ccc(C)n2n1.
What is the InChIKey of 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine?
The InChIKey is TUTQUIXNAUQUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-3-4-11-12(13-10(2)14-16(9)11)15-5-7-17-8-6-15/h3-4H,5-8H2,1-2H3.
What are the key properties of 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine?
4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine has a molecular weight of 232.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine is sourced from PubChem (CID 145420374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).