2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol

C18H19F3N4O2 — CID 171553360

IUPAC2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
SMILESCc1nc(N2CCC[C@H]2C2(O)CC2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C18H19F3N4O2/c1-10-15(12-5-4-11(9-13(12)26)18(19,20)21)23-24-16(22-10)25-8-2-3-14(25)17(27)6-7-17/h4-5,9,14,26-27H,2-3,6-8H2,1H3/t14-/m0/s1
InChIKeyBHLWBHHXRKLQJS-AWEZNQCLSA-N
MW380.37 g/mol
LogP3.07
Rot. Bonds3

About 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol

2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol (PubChem CID 171553360) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
PubChem CID171553360
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
SMILESCc1nc(N2CCC[C@H]2C2(O)CC2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C18H19F3N4O2/c1-10-15(12-5-4-11(9-13(12)26)18(19,20)21)23-24-16(22-10)25-8-2-3-14(25)17(27)6-7-17/h4-5,9,14,26-27H,2-3,6-8H2,1H3/t14-/m0/s1
InChIKeyBHLWBHHXRKLQJS-AWEZNQCLSA-N
XLogP3.07
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

(3S,3aS,6aR)-1-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-3-ol
CID 171553491
2-[3-[(1-hydroxycyclobutyl)methylamino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763698
2-[3-[[(3R)-1-cyclopropylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099156
trans-(1R,2R)-2-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]cycloheptan-1-ol
CID 171763651
2-[3-[(4-hydroxycyclohexyl)amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763589
2-[4-methyl-8-[(3R)-1-piperidin-4-ylpiperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 171838036
N-[[4-[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]morpholin-2-yl]methyl]acetamide
CID 171553561
tert-butyl 3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 175801079
2-[4-methyl-8-[(3R)-piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-3-yl]-5-(trifluoromethyl)phenol;hydrochloride
CID 171837872
2-[4-methyl-6-[N-methyl-C-(1-methylpiperidin-3-yl)carbonimidoyl]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 170227299
2-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol
CID 167138135
2-[3-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166152944

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol (CID 171553360) is 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol is Cc1nc(N2CCC[C@H]2C2(O)CC2)nnc1-c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
The InChIKey is BHLWBHHXRKLQJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-10-15(12-5-4-11(9-13(12)26)18(19,20)21)23-24-16(22-10)25-8-2-3-14(25)17(27)6-7-17/h4-5,9,14,26-27H,2-3,6-8H2,1H3/t14-/m0/s1.
What are the key properties of 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol?
2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol has a molecular weight of 380.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 171553360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).