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

C17H18F2N10 — CID 171803205

IUPAC2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2cnc(-c3nc(N)nc(NC(C)(C)c4ccn(C(F)F)n4)n3)cn12
InChIInChI=1S/C17H18F2N10/c1-9-21-6-10-7-22-11(8-28(9)10)13-23-15(20)25-16(24-13)26-17(2,3)12-4-5-29(27-12)14(18)19/h4-8,14H,1-3H3,(H3,20,23,24,25,26)
InChIKeyJIIFTQYBKBQIJX-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.41
Rot. Bonds5

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

2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 171803205) has the molecular formula C17H18F2N10 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine
PubChem CID171803205
Molecular FormulaC17H18F2N10
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC Name2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1ncc2cnc(-c3nc(N)nc(NC(C)(C)c4ccn(C(F)F)n4)n3)cn12
InChIInChI=1S/C17H18F2N10/c1-9-21-6-10-7-22-11(8-28(9)10)13-23-15(20)25-16(24-13)26-17(2,3)12-4-5-29(27-12)14(18)19/h4-8,14H,1-3H3,(H3,20,23,24,25,26)
InChIKeyJIIFTQYBKBQIJX-UHFFFAOYSA-N
XLogP2.41
TPSA124.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine (CID 171803205) is 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine is Cc1ncc2cnc(-c3nc(N)nc(NC(C)(C)c4ccn(C(F)F)n4)n3)cn12.
What is the InChIKey of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JIIFTQYBKBQIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N10/c1-9-21-6-10-7-22-11(8-28(9)10)13-23-15(20)25-16(24-13)26-17(2,3)12-4-5-29(27-12)14(18)19/h4-8,14H,1-3H3,(H3,20,23,24,25,26).
What are the key properties of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 400.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171803205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).