N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H17F3N4O3 — CID 134797822

IUPACN-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1
InChIInChI=1S/C18H17F3N4O3/c1-27-10-2-9-22-17(26)13-5-8-15-23-24-16(25(15)11-13)12-3-6-14(7-4-12)28-18(19,20)21/h3-8,11H,2,9-10H2,1H3,(H,22,26)
InChIKeyUUDQSAKYFFLEPR-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.06
Rot. Bonds7

About N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134797822) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134797822
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC NameN-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCCNC(=O)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1
InChIInChI=1S/C18H17F3N4O3/c1-27-10-2-9-22-17(26)13-5-8-15-23-24-16(25(15)11-13)12-3-6-14(7-4-12)28-18(19,20)21/h3-8,11H,2,9-10H2,1H3,(H,22,26)
InChIKeyUUDQSAKYFFLEPR-UHFFFAOYSA-N
XLogP3.06
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134797822) is N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCCNC(=O)c1ccc2nnc(-c3ccc(OC(F)(F)F)cc3)n2c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is UUDQSAKYFFLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-27-10-2-9-22-17(26)13-5-8-15-23-24-16(25(15)11-13)12-3-6-14(7-4-12)28-18(19,20)21/h3-8,11H,2,9-10H2,1H3,(H,22,26).
What are the key properties of N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134797822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).