4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine

C16H14N8 — CID 1266897

IUPAC4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1nc(-n2ccnc2)nc(-n2ccnc2)n1
InChIInChI=1S/C16H14N8/c1-22(13-5-3-2-4-6-13)14-19-15(23-9-7-17-11-23)21-16(20-14)24-10-8-18-12-24/h2-12H,1H3
InChIKeySAZPNQSUEPKYMD-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.01
Rot. Bonds4

About 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine

4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 1266897) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID1266897
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine
SMILESCN(c1ccccc1)c1nc(-n2ccnc2)nc(-n2ccnc2)n1
InChIInChI=1S/C16H14N8/c1-22(13-5-3-2-4-6-13)14-19-15(23-9-7-17-11-23)21-16(20-14)24-10-8-18-12-24/h2-12H,1H3
InChIKeySAZPNQSUEPKYMD-UHFFFAOYSA-N
XLogP2.01
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine (CID 1266897) is 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine is CN(c1ccccc1)c1nc(-n2ccnc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is SAZPNQSUEPKYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1-22(13-5-3-2-4-6-13)14-19-15(23-9-7-17-11-23)21-16(20-14)24-10-8-18-12-24/h2-12H,1H3.
What are the key properties of 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine?
4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 318.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(imidazol-1-yl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1266897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).