3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol

C18H17ClF3N5O — CID 170139997

IUPAC3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(CNc2nnc(-c3ccc(Cl)cc3C(F)(F)F)c3cncn23)C1
InChIInChI=1S/C18H17ClF3N5O/c1-17(28)5-10(6-17)7-24-16-26-25-15(14-8-23-9-27(14)16)12-3-2-11(19)4-13(12)18(20,21)22/h2-4,8-10,28H,5-7H2,1H3,(H,24,26)
InChIKeyAINIZNIGRQEEKO-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.04
Rot. Bonds4

About 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol

3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol (PubChem CID 170139997) has the molecular formula C18H17ClF3N5O and a molecular weight of 411.82 g/mol. Its IUPAC name is 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol
PubChem CID170139997
Molecular FormulaC18H17ClF3N5O
Molecular Weight411.82 g/mol
Exact Mass411.11
IUPAC Name3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(CNc2nnc(-c3ccc(Cl)cc3C(F)(F)F)c3cncn23)C1
InChIInChI=1S/C18H17ClF3N5O/c1-17(28)5-10(6-17)7-24-16-26-25-15(14-8-23-9-27(14)16)12-3-2-11(19)4-13(12)18(20,21)22/h2-4,8-10,28H,5-7H2,1H3,(H,24,26)
InChIKeyAINIZNIGRQEEKO-UHFFFAOYSA-N
XLogP4.04
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,4-bis(trifluoromethyl)phenyl]-N-cyclohexylimidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153953
1-[2,4-bis(trifluoromethyl)phenyl]-N-(oxan-4-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
CID 169153892
2-[3-[[1-[4-bromo-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]ethanol
CID 170139776
1-[4-chloro-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 170139998
3-[[[5-(2-aminoprop-1-enyl)-6-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]amino]methyl]-1-methylcyclobutan-1-ol
CID 174103673
N-[(3R)-1-ethylpiperidin-3-yl]-1-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769522
1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769561
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 118847434
1-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-(1H-pyrazol-5-yl)imidazo[1,5-d][1,2,4]triazin-4-amine
CID 176769669
trans-(1R,2R)-2-[[1-[4-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]cyclohexan-1-ol
CID 176769659
N-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990512

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol (CID 170139997) is 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol is CC1(O)CC(CNc2nnc(-c3ccc(Cl)cc3C(F)(F)F)c3cncn23)C1.
What is the InChIKey of 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol?
The InChIKey is AINIZNIGRQEEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O/c1-17(28)5-10(6-17)7-24-16-26-25-15(14-8-23-9-27(14)16)12-3-2-11(19)4-13(12)18(20,21)22/h2-4,8-10,28H,5-7H2,1H3,(H,24,26).
What are the key properties of 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol?
3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol has a molecular weight of 411.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-[4-chloro-2-(trifluoromethyl)phenyl]imidazo[1,5-d][1,2,4]triazin-4-yl]amino]methyl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 170139997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).