N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

C5H5F3N4O — CID 112733273

IUPACN-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-9-4(13)3-1-10-12-11-3/h1H,2H2,(H,9,13)(H,10,11,12)
InChIKeyNMCVZRCATBNIHP-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.10
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (PubChem CID 112733273) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
PubChem CID112733273
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC NameN-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn[nH]n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-9-4(13)3-1-10-12-11-3/h1H,2H2,(H,9,13)(H,10,11,12)
InChIKeyNMCVZRCATBNIHP-UHFFFAOYSA-N
XLogP0.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 53678135
N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
N-cyclopropyl-1H-1,2,3-triazole-5-carboxamide
CID 61069826
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
2-[[2-(Trifluoromethyl)triazole-4-carbonyl]amino]ethyl nitrate
CID 23053864
N-(trifluoromethyl)-2H-triazole-4-carboxamide
CID 69627948
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)acetamide
CID 101584665
1-(2,2-Difluoroethyl)triazole-4-carboxamide
CID 172346537
3-(3,3,3-Trifluoropropyl)triazole-4-carboxamide
CID 175848667
1-methyl-N-(2,2,2-trifluoroethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45497208

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (CID 112733273) is N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is O=C(NCC(F)(F)F)c1cn[nH]n1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The InChIKey is NMCVZRCATBNIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)2-9-4(13)3-1-10-12-11-3/h1H,2H2,(H,9,13)(H,10,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide has a molecular weight of 194.12 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).