4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C16H15N5 — CID 5061586

IUPAC4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCc1cccc(C2N=C(N)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C16H15N5/c1-10-5-4-6-11(9-10)14-19-15(17)20-16-18-12-7-2-3-8-13(12)21(14)16/h2-9,14H,1H3,(H3,17,18,19,20)
InChIKeyWFAMZPJWXIREJC-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.63
Rot. Bonds1

About 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 5061586) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID5061586
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCc1cccc(C2N=C(N)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C16H15N5/c1-10-5-4-6-11(9-10)14-19-15(17)20-16-18-12-7-2-3-8-13(12)21(14)16/h2-9,14H,1H3,(H3,17,18,19,20)
InChIKeyWFAMZPJWXIREJC-UHFFFAOYSA-N
XLogP2.63
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 5061586) is 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is Cc1cccc(C2N=C(N)Nc3nc4ccccc4n32)c1.
What is the InChIKey of 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is WFAMZPJWXIREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-5-4-6-11(9-10)14-19-15(17)20-16-18-12-7-2-3-8-13(12)21(14)16/h2-9,14H,1H3,(H3,17,18,19,20).
What are the key properties of 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 277.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 5061586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).