(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide

C10H11F3N4O — CID 126430984

IUPAC(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC12CC2
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8-15-6(16-17-8)4-14-7(18)5-3-9(5)1-2-9/h5H,1-4H2,(H,14,18)(H,15,16,17)/t5-/m1/s1
InChIKeyBPNRPTRXPPLABF-RXMQYKEDSA-N
MW260.22 g/mol
LogP1.24
Rot. Bonds3

About (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide

(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 126430984) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide
PubChem CID126430984
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC12CC2
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8-15-6(16-17-8)4-14-7(18)5-3-9(5)1-2-9/h5H,1-4H2,(H,14,18)(H,15,16,17)/t5-/m1/s1
InChIKeyBPNRPTRXPPLABF-RXMQYKEDSA-N
XLogP1.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 86800226
1-cyclobutyl-3-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 155950012
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836
2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 154862889
(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126436107
(3S)-1-(2-methoxyethyl)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 126430594
(1R,9aR)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide;formic acid
CID 154906788
2-cyclopentyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyrazole-3-carboxamide
CID 136532884
(5S,7R)-2-ethyl-5,7-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100238
2,2-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 154838768
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
4-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 155963054

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide (CID 126430984) is (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide is O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC12CC2.
What is the InChIKey of (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is BPNRPTRXPPLABF-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)8-15-6(16-17-8)4-14-7(18)5-3-9(5)1-2-9/h5H,1-4H2,(H,14,18)(H,15,16,17)/t5-/m1/s1.
What are the key properties of (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide?
(2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 260.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 126430984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).