1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol

C20H21F3N4O2 — CID 71227769

IUPAC1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-19(28)9-7-14(8-10-19)24-15-5-6-17-25-26-18(27(17)12-15)13-3-2-4-16(11-13)29-20(21,22)23/h2-6,11-12,14,24,28H,7-10H2,1H3
InChIKeyDRKBDDUOHKJNIP-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.40
Rot. Bonds4

About 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol

1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol (PubChem CID 71227769) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol
PubChem CID71227769
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-19(28)9-7-14(8-10-19)24-15-5-6-17-25-26-18(27(17)12-15)13-3-2-4-16(11-13)29-20(21,22)23/h2-6,11-12,14,24,28H,7-10H2,1H3
InChIKeyDRKBDDUOHKJNIP-UHFFFAOYSA-N
XLogP4.40
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 134360128
2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
CID 71235303
1-methyl-4-[[10-methyl-5-[3-(trifluoromethoxy)phenyl]-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-8-yl]amino]cyclohexan-1-ol
CID 168908359
4-[[1-[4-[6-[(4-bromocyclohexyl)amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-yl]amino]cyclohexan-1-ol
CID 123333085
N-(4,4-difluorocyclohexyl)-4-(trifluoromethoxy)aniline
CID 177312690
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
N-(7-azaspiro[3.5]nonan-2-yl)-10,12,12-trimethyl-5-[3-(trifluoromethoxy)phenyl]-14-oxa-3,4,6,7,10-pentazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraen-8-amine;ethane
CID 144503363
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
6-chloro-N-cyclopentyl-2-methyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine;ethane
CID 143373172
CID 174066317
CID 174066317
5,5-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclohex-2-en-1-ol
CID 65176983

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol (CID 71227769) is 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol is CC1(O)CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1.
What is the InChIKey of 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is DRKBDDUOHKJNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-19(28)9-7-14(8-10-19)24-15-5-6-17-25-26-18(27(17)12-15)13-3-2-4-16(11-13)29-20(21,22)23/h2-6,11-12,14,24,28H,7-10H2,1H3.
What are the key properties of 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol?
1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 406.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71227769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).