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

C18H19F2N9 — CID 171803216

IUPAC2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCn1ncc2cc(-c3nc(N)nc(NC(C)(C)c4ccn(C(F)F)n4)n3)ccc21
InChIInChI=1S/C18H19F2N9/c1-18(2,13-6-7-29(27-13)15(19)20)26-17-24-14(23-16(21)25-17)10-4-5-12-11(8-10)9-22-28(12)3/h4-9,15H,1-3H3,(H3,21,23,24,25,26)
InChIKeyWSAKLVZFQACMQC-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.95
Rot. Bonds5

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

2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 171803216) has the molecular formula C18H19F2N9 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID171803216
Molecular FormulaC18H19F2N9
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Name2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCn1ncc2cc(-c3nc(N)nc(NC(C)(C)c4ccn(C(F)F)n4)n3)ccc21
InChIInChI=1S/C18H19F2N9/c1-18(2,13-6-7-29(27-13)15(19)20)26-17-24-14(23-16(21)25-17)10-4-5-12-11(8-10)9-22-28(12)3/h4-9,15H,1-3H3,(H3,21,23,24,25,26)
InChIKeyWSAKLVZFQACMQC-UHFFFAOYSA-N
XLogP2.95
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-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-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine (CID 171803216) is 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-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-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine is Cn1ncc2cc(-c3nc(N)nc(NC(C)(C)c4ccn(C(F)F)n4)n3)ccc21.
What is the InChIKey of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WSAKLVZFQACMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N9/c1-18(2,13-6-7-29(27-13)15(19)20)26-17-24-14(23-16(21)25-17)10-4-5-12-11(8-10)9-22-28(12)3/h4-9,15H,1-3H3,(H3,21,23,24,25,26).
What are the key properties of 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 399.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(1-methylindazol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171803216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).