[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide

C9H14F3N4- — CID 159039515

IUPAC[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide
SMILESCC(C)C[C@H]([NH-])Cc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H14F3N4/c1-5(2)3-6(13)4-7-14-8(16-15-7)9(10,11)12/h5-6,13H,3-4H2,1-2H3,(H,14,15,16)/q-1/t6-/m0/s1
InChIKeyJVWKNHKPMYGVPF-LURJTMIESA-N
MW235.23 g/mol
LogP2.83
Rot. Bonds4

About [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide

[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide (PubChem CID 159039515) has the molecular formula C9H14F3N4- and a molecular weight of 235.23 g/mol. Its IUPAC name is [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide.

Molecular Properties

Compound Name[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide
PubChem CID159039515
Molecular FormulaC9H14F3N4-
Molecular Weight235.23 g/mol
Exact Mass235.12
IUPAC Name[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide
SMILESCC(C)C[C@H]([NH-])Cc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C9H14F3N4/c1-5(2)3-6(13)4-7-14-8(16-15-7)9(10,11)12/h5-6,13H,3-4H2,1-2H3,(H,14,15,16)/q-1/t6-/m0/s1
InChIKeyJVWKNHKPMYGVPF-LURJTMIESA-N
XLogP2.83
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide with MolForge

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Related Compounds

3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2,2-difluoropropyl)piperidine
CID 164633336
5-pentyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 10013238
3-(1,1-difluorobutyl)-5-pentyl-1H-1,2,4-triazole
CID 57058217
1-[5-(butan-2-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
CID 63716691
9-methyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-b]diazepine;hydrochloride
CID 68810981
4-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569094
4-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 84037643
(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-amine
CID 90079653
2,2-difluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 119031866
3-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pent-4-en-1-amine
CID 123505695
5-butan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 123626692

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide?
The IUPAC name of [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide (CID 159039515) is [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide.
What is the SMILES notation for [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide?
The canonical SMILES for [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide is CC(C)C[C@H]([NH-])Cc1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide?
The InChIKey is JVWKNHKPMYGVPF-LURJTMIESA-N. The full InChI is InChI=1S/C9H14F3N4/c1-5(2)3-6(13)4-7-14-8(16-15-7)9(10,11)12/h5-6,13H,3-4H2,1-2H3,(H,14,15,16)/q-1/t6-/m0/s1.
What are the key properties of [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide?
[(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide has a molecular weight of 235.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pentan-2-yl]azanide is sourced from PubChem (CID 159039515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).