7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

C13H12N6O — CID 70393865

IUPAC7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1C(=O)Nc2cc3c(cc21)NC(c1ncncn1)N3
InChIInChI=1S/C13H12N6O/c1-6-7-2-9-10(3-8(7)19-13(6)20)18-12(17-9)11-15-4-14-5-16-11/h2-6,12,17-18H,1H3,(H,19,20)
InChIKeyZCKMSFCFZFFPOG-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.46
Rot. Bonds1

About 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one

7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70393865) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70393865
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1C(=O)Nc2cc3c(cc21)NC(c1ncncn1)N3
InChIInChI=1S/C13H12N6O/c1-6-7-2-9-10(3-8(7)19-13(6)20)18-12(17-9)11-15-4-14-5-16-11/h2-6,12,17-18H,1H3,(H,19,20)
InChIKeyZCKMSFCFZFFPOG-UHFFFAOYSA-N
XLogP1.46
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one (CID 70393865) is 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is CC1C(=O)Nc2cc3c(cc21)NC(c1ncncn1)N3.
What is the InChIKey of 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is ZCKMSFCFZFFPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-6-7-2-9-10(3-8(7)19-13(6)20)18-12(17-9)11-15-4-14-5-16-11/h2-6,12,17-18H,1H3,(H,19,20).
What are the key properties of 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one?
7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 268.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(1,3,5-triazin-2-yl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70393865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).