[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate

C16H11F3N6O3 — CID 175412676

IUPAC[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc(C(=O)c3ccc(C(F)(F)F)nc3)cn2)c1OC(N)=O
InChIInChI=1S/C16H11F3N6O3/c1-25-14(28-15(20)27)12(23-24-25)10-4-2-8(6-21-10)13(26)9-3-5-11(22-7-9)16(17,18)19/h2-7H,1H3,(H2,20,27)
InChIKeyBLMVQFXUYFLQFH-UHFFFAOYSA-N
MW392.30 g/mol
LogP1.98
Rot. Bonds4

About [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate

[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate (PubChem CID 175412676) has the molecular formula C16H11F3N6O3 and a molecular weight of 392.30 g/mol. Its IUPAC name is [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate.

Molecular Properties

Compound Name[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
PubChem CID175412676
Molecular FormulaC16H11F3N6O3
Molecular Weight392.30 g/mol
Exact Mass392.08
IUPAC Name[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
SMILESCn1nnc(-c2ccc(C(=O)c3ccc(C(F)(F)F)nc3)cn2)c1OC(N)=O
InChIInChI=1S/C16H11F3N6O3/c1-25-14(28-15(20)27)12(23-24-25)10-4-2-8(6-21-10)13(26)9-3-5-11(22-7-9)16(17,18)19/h2-7H,1H3,(H2,20,27)
InChIKeyBLMVQFXUYFLQFH-UHFFFAOYSA-N
XLogP1.98
TPSA125.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-methyl-5-[5-[[2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-2-pyridinyl]triazol-4-yl] carbamate
CID 175412710
[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl] carbamate
CID 175412702
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86715442
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
ethyl (E)-3-[6-(trifluoromethyl)-3-pyridinyl]but-2-enoate
CID 148628577
1-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pent-3-en-2-one
CID 70838050
2-bromo-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone;hydrobromide
CID 131636933
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate?
The IUPAC name of [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate (CID 175412676) is [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate.
What is the SMILES notation for [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate?
The canonical SMILES for [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate is Cn1nnc(-c2ccc(C(=O)c3ccc(C(F)(F)F)nc3)cn2)c1OC(N)=O.
What is the InChIKey of [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate?
The InChIKey is BLMVQFXUYFLQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O3/c1-25-14(28-15(20)27)12(23-24-25)10-4-2-8(6-21-10)13(26)9-3-5-11(22-7-9)16(17,18)19/h2-7H,1H3,(H2,20,27).
What are the key properties of [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate?
[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate has a molecular weight of 392.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate is sourced from PubChem (CID 175412676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).