2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate

C17H16F3N7O2 — CID 118324676

IUPAC2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CCOC(N)=O)nn2)c1
InChIInChI=1S/C17H16F3N7O2/c1-10-6-12(13-9-27(26-25-13)4-5-29-16(21)28)23-15(7-10)24-14-8-11(2-3-22-14)17(18,19)20/h2-3,6-9H,4-5H2,1H3,(H2,21,28)(H,22,23,24)
InChIKeyPTDRZAHHKHMOCT-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.90
Rot. Bonds6

About 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate

2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate (PubChem CID 118324676) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate
PubChem CID118324676
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC Name2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CCOC(N)=O)nn2)c1
InChIInChI=1S/C17H16F3N7O2/c1-10-6-12(13-9-27(26-25-13)4-5-29-16(21)28)23-15(7-10)24-14-8-11(2-3-22-14)17(18,19)20/h2-3,6-9H,4-5H2,1H3,(H2,21,28)(H,22,23,24)
InChIKeyPTDRZAHHKHMOCT-UHFFFAOYSA-N
XLogP2.90
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-4-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]butanoate
CID 118324618
[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]methanesulfonamide
CID 118324684
1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]pentane-2,3-diol
CID 118324614
1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 118324559
4-methyl-6-[1-(3-phenylprop-2-enyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 131743510
methyl 1-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]cyclopropane-1-carboxylate
CID 118324588
2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-2-phenylethanol
CID 118324575
2-(4-fluorophenyl)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethanol
CID 118324530
4-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]pyrrolidin-3-ol
CID 118324418
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
1-[(2R)-2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]propanoyl]pyrrolidine-2-carboxamide
CID 118271525
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate?
The IUPAC name of 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate (CID 118324676) is 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate.
What is the SMILES notation for 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate?
The canonical SMILES for 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CCOC(N)=O)nn2)c1.
What is the InChIKey of 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate?
The InChIKey is PTDRZAHHKHMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2/c1-10-6-12(13-9-27(26-25-13)4-5-29-16(21)28)23-15(7-10)24-14-8-11(2-3-22-14)17(18,19)20/h2-3,6-9H,4-5H2,1H3,(H2,21,28)(H,22,23,24).
What are the key properties of 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate?
2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate has a molecular weight of 407.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]ethyl carbamate is sourced from PubChem (CID 118324676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).