5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol

C17H21F2N5O2 — CID 166099135

IUPAC5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(OC(F)F)cc1O
InChIInChI=1S/C17H21F2N5O2/c1-10-15(13-6-5-12(8-14(13)25)26-16(18)19)22-23-17(20-10)21-11-4-3-7-24(2)9-11/h5-6,8,11,16,25H,3-4,7,9H2,1-2H3,(H,20,21,23)/t11-/m1/s1
InChIKeyDPKMFSQGSFMVBX-LLVKDONJSA-N
MW365.38 g/mol
LogP2.66
Rot. Bonds5

About 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol

5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 166099135) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
PubChem CID166099135
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Name5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(OC(F)F)cc1O
InChIInChI=1S/C17H21F2N5O2/c1-10-15(13-6-5-12(8-14(13)25)26-16(18)19)22-23-17(20-10)21-11-4-3-7-24(2)9-11/h5-6,8,11,16,25H,3-4,7,9H2,1-2H3,(H,20,21,23)/t11-/m1/s1
InChIKeyDPKMFSQGSFMVBX-LLVKDONJSA-N
XLogP2.66
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol 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 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol (CID 166099135) is 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol is Cc1nc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(OC(F)F)cc1O.
What is the InChIKey of 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is DPKMFSQGSFMVBX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-10-15(13-6-5-12(8-14(13)25)26-16(18)19)22-23-17(20-10)21-11-4-3-7-24(2)9-11/h5-6,8,11,16,25H,3-4,7,9H2,1-2H3,(H,20,21,23)/t11-/m1/s1.
What are the key properties of 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 365.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 166099135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).