N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

C16H19F3N6O2 — CID 25384668

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)n1
InChIInChI=1S/C16H19F3N6O2/c1-10-7-13(16(17,18)19)22-14(21-10)4-5-20-15(26)12-9-25(24-23-12)8-11-3-2-6-27-11/h7,9,11H,2-6,8H2,1H3,(H,20,26)/t11-/m0/s1
InChIKeyKGZSSTDQIFDHDW-NSHDSACASA-N
MW384.36 g/mol
LogP1.55
Rot. Bonds6

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 25384668) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID25384668
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)n1
InChIInChI=1S/C16H19F3N6O2/c1-10-7-13(16(17,18)19)22-14(21-10)4-5-20-15(26)12-9-25(24-23-12)8-11-3-2-6-27-11/h7,9,11H,2-6,8H2,1H3,(H,20,26)/t11-/m0/s1
InChIKeyKGZSSTDQIFDHDW-NSHDSACASA-N
XLogP1.55
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]oxolane-2-carboxamide
CID 91772807
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56902904
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45207828
5-(difluoromethyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 91765764
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 42101548
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
3-methoxy-1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 71796959
(3R)-3-(dimethylamino)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 126452220
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 25384668) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cn(C[C@@H]3CCCO3)nn2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is KGZSSTDQIFDHDW-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F3N6O2/c1-10-7-13(16(17,18)19)22-14(21-10)4-5-20-15(26)12-9-25(24-23-12)8-11-3-2-6-27-11/h7,9,11H,2-6,8H2,1H3,(H,20,26)/t11-/m0/s1.
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 25384668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).