3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

C10H15F3N6O — CID 62807020

IUPAC3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C10H15F3N6O/c11-10(12,13)5-19-2-1-6(4-19)3-15-8(20)7-16-9(14)18-17-7/h6H,1-5H2,(H,15,20)(H3,14,16,17,18)
InChIKeyPQGZAUMCLHYKTA-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.00
Rot. Bonds4

About 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807020) has the molecular formula C10H15F3N6O and a molecular weight of 292.27 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807020
Molecular FormulaC10H15F3N6O
Molecular Weight292.27 g/mol
Exact Mass292.13
IUPAC Name3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C10H15F3N6O/c11-10(12,13)5-19-2-1-6(4-19)3-15-8(20)7-16-9(14)18-17-7/h6H,1-5H2,(H,15,20)(H3,14,16,17,18)
InChIKeyPQGZAUMCLHYKTA-UHFFFAOYSA-N
XLogP0.00
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

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Related Compounds

(5-amino-1H-1,2,4-triazol-3-yl)(pyrrolidin-1-yl)methanone
CID 45791200
5-oxo-1-(2,2,2-trifluoroethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 53504579
2-acetamido-3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 60402201
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792821
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792986
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793338
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62794700
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62794701
(3-amino-1H-1,2,4-triazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 62807197
3-amino-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 63227377
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64518253
3-amino-N-methyl-N-(3,3,3-trifluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 65536241

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807020) is 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is PQGZAUMCLHYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6O/c11-10(12,13)5-19-2-1-6(4-19)3-15-8(20)7-16-9(14)18-17-7/h6H,1-5H2,(H,15,20)(H3,14,16,17,18).
What are the key properties of 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 292.27 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).