N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C9H11F3N4O — CID 70764187

IUPACN-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1NCCc2[nH]cnc21
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)3-14-8(17)7-6-5(1-2-13-7)15-4-16-6/h4,7,13H,1-3H2,(H,14,17)(H,15,16)
InChIKeyUCWVDZMKWWETFA-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.28
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70764187) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70764187
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1NCCc2[nH]cnc21
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)3-14-8(17)7-6-5(1-2-13-7)15-4-16-6/h4,7,13H,1-3H2,(H,14,17)(H,15,16)
InChIKeyUCWVDZMKWWETFA-UHFFFAOYSA-N
XLogP0.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70764187) is N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCC(F)(F)F)C1NCCc2[nH]cnc21.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is UCWVDZMKWWETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)3-14-8(17)7-6-5(1-2-13-7)15-4-16-6/h4,7,13H,1-3H2,(H,14,17)(H,15,16).
What are the key properties of N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70764187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).