N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C20H21F3N4O — CID 71227346

IUPACN-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCOC1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C20H21F3N4O/c1-28-17-8-5-15(6-9-17)24-16-7-10-18-25-26-19(27(18)12-16)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,17,24H,5-6,8-9H2,1H3
InChIKeyFHVNSVQOCBNLRV-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.78
Rot. Bonds4

About N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 71227346) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID71227346
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC NameN-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCOC1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C20H21F3N4O/c1-28-17-8-5-15(6-9-17)24-16-7-10-18-25-26-19(27(18)12-16)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,17,24H,5-6,8-9H2,1H3
InChIKeyFHVNSVQOCBNLRV-UHFFFAOYSA-N
XLogP4.78
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 71227346) is N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is COC1CCC(Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is FHVNSVQOCBNLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-28-17-8-5-15(6-9-17)24-16-7-10-18-25-26-19(27(18)12-16)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,17,24H,5-6,8-9H2,1H3.
What are the key properties of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 390.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 71227346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).