2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine

C17H16F3N9 — CID 171803172

IUPAC2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(N(C)Cc4cnc(C(F)(F)F)[nH]4)n3)cn12
InChIInChI=1S/C17H16F3N9/c1-9-22-6-12-4-3-10(7-29(9)12)13-25-15(21)27-16(26-13)28(2)8-11-5-23-14(24-11)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,24)(H2,21,25,26,27)
InChIKeyCGHKLZUZTKFYSP-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.46
Rot. Bonds4

About 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 171803172) has the molecular formula C17H16F3N9 and a molecular weight of 403.37 g/mol. Its IUPAC name is 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID171803172
Molecular FormulaC17H16F3N9
Molecular Weight403.37 g/mol
Exact Mass403.15
IUPAC Name2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(N(C)Cc4cnc(C(F)(F)F)[nH]4)n3)cn12
InChIInChI=1S/C17H16F3N9/c1-9-22-6-12-4-3-10(7-29(9)12)13-25-15(21)27-16(26-13)28(2)8-11-5-23-14(24-11)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,24)(H2,21,25,26,27)
InChIKeyCGHKLZUZTKFYSP-UHFFFAOYSA-N
XLogP2.46
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 171803172) is 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(N(C)Cc4cnc(C(F)(F)F)[nH]4)n3)cn12.
What is the InChIKey of 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CGHKLZUZTKFYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N9/c1-9-22-6-12-4-3-10(7-29(9)12)13-25-15(21)27-16(26-13)28(2)8-11-5-23-14(24-11)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,24)(H2,21,25,26,27).
What are the key properties of 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 403.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171803172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).