N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide

C16H16F3N5O — CID 126779844

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NCc1nnc(C2CC2)n1C1CC1)c1ccncc1C(F)(F)F
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)12-7-20-6-5-11(12)15(25)21-8-13-22-23-14(9-1-2-9)24(13)10-3-4-10/h5-7,9-10H,1-4,8H2,(H,21,25)
InChIKeyMTCOQZQALHIUKE-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.83
Rot. Bonds5

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 126779844) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID126779844
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NCc1nnc(C2CC2)n1C1CC1)c1ccncc1C(F)(F)F
InChIInChI=1S/C16H16F3N5O/c17-16(18,19)12-7-20-6-5-11(12)15(25)21-8-13-22-23-14(9-1-2-9)24(13)10-3-4-10/h5-7,9-10H,1-4,8H2,(H,21,25)
InChIKeyMTCOQZQALHIUKE-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide (CID 126779844) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide is O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccncc1C(F)(F)F.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is MTCOQZQALHIUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c17-16(18,19)12-7-20-6-5-11(12)15(25)21-8-13-22-23-14(9-1-2-9)24(13)10-3-4-10/h5-7,9-10H,1-4,8H2,(H,21,25).
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 126779844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).