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

C17H20F2N4O3 — CID 166099114

IUPAC5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol
SMILESCc1nc(N[C@@H]2CCCC[C@H]2O)nnc1-c1ccc(OC(F)F)cc1O
InChIInChI=1S/C17H20F2N4O3/c1-9-15(11-7-6-10(8-14(11)25)26-16(18)19)22-23-17(20-9)21-12-4-2-3-5-13(12)24/h6-8,12-13,16,24-25H,2-5H2,1H3,(H,20,21,23)/t12-,13-/m1/s1
InChIKeyLFTWZNDCIVGHNS-CHWSQXEVSA-N
MW366.37 g/mol
LogP2.87
Rot. Bonds5

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

5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol (PubChem CID 166099114) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol
PubChem CID166099114
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol
SMILESCc1nc(N[C@@H]2CCCC[C@H]2O)nnc1-c1ccc(OC(F)F)cc1O
InChIInChI=1S/C17H20F2N4O3/c1-9-15(11-7-6-10(8-14(11)25)26-16(18)19)22-23-17(20-9)21-12-4-2-3-5-13(12)24/h6-8,12-13,16,24-25H,2-5H2,1H3,(H,20,21,23)/t12-,13-/m1/s1
InChIKeyLFTWZNDCIVGHNS-CHWSQXEVSA-N
XLogP2.87
TPSA100.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol (CID 166099114) is 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol is Cc1nc(N[C@@H]2CCCC[C@H]2O)nnc1-c1ccc(OC(F)F)cc1O.
What is the InChIKey of 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol?
The InChIKey is LFTWZNDCIVGHNS-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20F2N4O3/c1-9-15(11-7-6-10(8-14(11)25)26-16(18)19)22-23-17(20-9)21-12-4-2-3-5-13(12)24/h6-8,12-13,16,24-25H,2-5H2,1H3,(H,20,21,23)/t12-,13-/m1/s1.
What are the key properties of 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol?
5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol has a molecular weight of 366.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-methyl-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 166099114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).