2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine

C12H19F3N4 — CID 115824413

IUPAC2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCn1nc(C2CCCCC2)nc1C(C)(N)C(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-11(16,12(13,14)15)10-17-9(18-19(10)2)8-6-4-3-5-7-8/h8H,3-7,16H2,1-2H3
InChIKeyDQRUKCICKHXYLY-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.60
Rot. Bonds2

About 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine

2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 115824413) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID115824413
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
SMILESCn1nc(C2CCCCC2)nc1C(C)(N)C(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-11(16,12(13,14)15)10-17-9(18-19(10)2)8-6-4-3-5-7-8/h8H,3-7,16H2,1-2H3
InChIKeyDQRUKCICKHXYLY-UHFFFAOYSA-N
XLogP2.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine with MolForge

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Related Compounds

2-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 121515910
(2S)-2-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 131942532
trans-(1S,2S)-N-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 137992724
(1S)-1-cyclopentyl-N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 137992965
1-(Cyclohexylmethyl)-3-(difluoromethyl)-5-methyl-1,2,4-triazole
CID 68264932
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
3-Cyclohexyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63709998
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754252
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754268
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757392
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758693
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759093

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine (CID 115824413) is 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is Cn1nc(C2CCCCC2)nc1C(C)(N)C(F)(F)F.
What is the InChIKey of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is DQRUKCICKHXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-11(16,12(13,14)15)10-17-9(18-19(10)2)8-6-4-3-5-7-8/h8H,3-7,16H2,1-2H3.
What are the key properties of 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine?
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 276.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 115824413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).