6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine

C17H17N7O — CID 145420345

IUPAC6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2[nH]1
InChIInChI=1S/C17H17N7O/c18-17-19-12-4-3-11(10-13(12)20-17)15-21-16(23-6-8-25-9-7-23)14-2-1-5-24(14)22-15/h1-5,10H,6-9H2,(H3,18,19,20)
InChIKeyUTTLVNGPKMPJGF-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.69
Rot. Bonds2

About 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine

6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine (PubChem CID 145420345) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine
PubChem CID145420345
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2[nH]1
InChIInChI=1S/C17H17N7O/c18-17-19-12-4-3-11(10-13(12)20-17)15-21-16(23-6-8-25-9-7-23)14-2-1-5-24(14)22-15/h1-5,10H,6-9H2,(H3,18,19,20)
InChIKeyUTTLVNGPKMPJGF-UHFFFAOYSA-N
XLogP1.69
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(hydroxymethylamino)propan-2-ol;4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline
CID 145420371
N-ethyl-2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]acetamide
CID 158992814
1-ethyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]thiourea
CID 153499684
cyclopropanamine;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;methane;4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline
CID 158655458
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
CID 145420462
6-[4-(2-phenylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-benzimidazol-2-amine
CID 59586312
1-(2-cyanoethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
CID 145420362
2-isocyano-1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-pyridin-3-ylguanidine
CID 153499686
4-[2-(3-methoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-yl]morpholine
CID 71273468
4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]aniline
CID 118084865
1-[4-[3-(dimethylaminosulfanyl)imidazolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea
CID 166969861
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486

Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine (CID 145420345) is 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine is Nc1nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2[nH]1.
What is the InChIKey of 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is UTTLVNGPKMPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c18-17-19-12-4-3-11(10-13(12)20-17)15-21-16(23-6-8-25-9-7-23)14-2-1-5-24(14)22-15/h1-5,10H,6-9H2,(H3,18,19,20).
What are the key properties of 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine?
6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 335.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 145420345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).