3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide

C10H9F3N6O2 — CID 62807354

IUPAC3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C10H9F3N6O2/c11-10(12,13)4-21-6-2-1-5(3-15-6)16-8(20)7-17-9(14)19-18-7/h1-3H,4H2,(H,16,20)(H3,14,17,18,19)
InChIKeyRRRXJDBGGYYMLB-UHFFFAOYSA-N
MW302.22 g/mol
LogP0.98
Rot. Bonds4

About 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807354) has the molecular formula C10H9F3N6O2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807354
Molecular FormulaC10H9F3N6O2
Molecular Weight302.22 g/mol
Exact Mass302.07
IUPAC Name3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C10H9F3N6O2/c11-10(12,13)4-21-6-2-1-5(3-15-6)16-8(20)7-17-9(14)19-18-7/h1-3H,4H2,(H,16,20)(H3,14,17,18,19)
InChIKeyRRRXJDBGGYYMLB-UHFFFAOYSA-N
XLogP0.98
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
CID 62808434
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 136539684
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
2-[2,6-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 120549355
2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
CID 119957958
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807354) is 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)n1.
What is the InChIKey of 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RRRXJDBGGYYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O2/c11-10(12,13)4-21-6-2-1-5(3-15-6)16-8(20)7-17-9(14)19-18-7/h1-3H,4H2,(H,16,20)(H3,14,17,18,19).
What are the key properties of 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 302.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).