4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C14H12N6 — CID 2729934

IUPAC4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2cccnc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C14H12N6/c15-13-18-12(9-4-3-7-16-8-9)20-11-6-2-1-5-10(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19)
InChIKeyDXKWYOCAUDEVNS-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.72
Rot. Bonds1

About 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 2729934) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID2729934
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2cccnc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C14H12N6/c15-13-18-12(9-4-3-7-16-8-9)20-11-6-2-1-5-10(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19)
InChIKeyDXKWYOCAUDEVNS-UHFFFAOYSA-N
XLogP1.72
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 2729934) is 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=NC(c2cccnc2)n2c(nc3ccccc32)N1.
What is the InChIKey of 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is DXKWYOCAUDEVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c15-13-18-12(9-4-3-7-16-8-9)20-11-6-2-1-5-10(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19).
What are the key properties of 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 264.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 2729934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).