[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate

C15H11F3N8O3 — CID 175412710

IUPAC[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cn2)c1OC(N)=O
InChIInChI=1S/C15H11F3N8O3/c1-26-12(29-14(19)28)10(24-25-26)9-3-2-8(6-20-9)23-11(27)7-4-21-13(22-5-7)15(16,17)18/h2-6H,1H3,(H2,19,28)(H,23,27)
InChIKeyLBEVBUQHZVVOND-UHFFFAOYSA-N
MW408.30 g/mol
LogP1.40
Rot. Bonds4

About [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate

[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate (PubChem CID 175412710) has the molecular formula C15H11F3N8O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate.

Molecular Properties

Compound Name[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate
PubChem CID175412710
Molecular FormulaC15H11F3N8O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC Name[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cn2)c1OC(N)=O
InChIInChI=1S/C15H11F3N8O3/c1-26-12(29-14(19)28)10(24-25-26)9-3-2-8(6-20-9)23-11(27)7-4-21-13(22-5-7)15(16,17)18/h2-6H,1H3,(H2,19,28)(H,23,27)
InChIKeyLBEVBUQHZVVOND-UHFFFAOYSA-N
XLogP1.40
TPSA150.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[6-fluoro-5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl] carbamate
CID 175413082
[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
CID 175412676
[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate
CID 175412702
[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate
CID 175412728
tert-butyl N-[6-(5-carbamoyloxy-1-methylpyrazol-4-yl)-3-pyridinyl]carbamate
CID 175520173
N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 136542110
4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
CID 58487503
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[(Z)-2-amino-1-[amino(methyl)amino]-2-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]ethenyl]carbamate
CID 166573235
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]-2-pyridinyl]triazol-4-yl]carbamate
CID 162377643
[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-[5-[(2-chloropyridine-4-carbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377817
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91649769
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(2-chloropyridine-4-carbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377922

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate?
The IUPAC name of [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate (CID 175412710) is [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate.
What is the SMILES notation for [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate?
The canonical SMILES for [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate is Cn1nnc(-c2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cn2)c1OC(N)=O.
What is the InChIKey of [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate?
The InChIKey is LBEVBUQHZVVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N8O3/c1-26-12(29-14(19)28)10(24-25-26)9-3-2-8(6-20-9)23-11(27)7-4-21-13(22-5-7)15(16,17)18/h2-6H,1H3,(H2,19,28)(H,23,27).
What are the key properties of [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate?
[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate has a molecular weight of 408.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate is sourced from PubChem (CID 175412710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).