2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine

C18H19F3N10 — CID 178184792

IUPAC2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4cc(N)n(C(F)(F)F)n4)n3)cn12
InChIInChI=1S/C18H19F3N10/c1-9-24-7-11-5-4-10(8-30(9)11)14-25-15(23)27-16(26-14)28-17(2,3)12-6-13(22)31(29-12)18(19,20)21/h4-8H,22H2,1-3H3,(H3,23,25,26,27,28)
InChIKeyVLTAEHMHHNUYCK-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.68
Rot. Bonds4

About 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine

2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 178184792) has the molecular formula C18H19F3N10 and a molecular weight of 432.41 g/mol. Its IUPAC name is 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID178184792
Molecular FormulaC18H19F3N10
Molecular Weight432.41 g/mol
Exact Mass432.17
IUPAC Name2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4cc(N)n(C(F)(F)F)n4)n3)cn12
InChIInChI=1S/C18H19F3N10/c1-9-24-7-11-5-4-10(8-30(9)11)14-25-15(23)27-16(26-14)28-17(2,3)12-6-13(22)31(29-12)18(19,20)21/h4-8H,22H2,1-3H3,(H3,23,25,26,27,28)
InChIKeyVLTAEHMHHNUYCK-UHFFFAOYSA-N
XLogP2.68
TPSA137.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine (CID 178184792) is 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine is Cc1ncc2ccc(-c3nc(N)nc(NC(C)(C)c4cc(N)n(C(F)(F)F)n4)n3)cn12.
What is the InChIKey of 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VLTAEHMHHNUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N10/c1-9-24-7-11-5-4-10(8-30(9)11)14-25-15(23)27-16(26-14)28-17(2,3)12-6-13(22)31(29-12)18(19,20)21/h4-8H,22H2,1-3H3,(H3,23,25,26,27,28).
What are the key properties of 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 432.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[5-amino-1-(trifluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 178184792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).