N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C11H17F3N4 — CID 62755610

IUPACN-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cc(CNC2CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C11H17F3N4/c1-18-7-10(16-17-18)6-15-9-4-2-3-8(5-9)11(12,13)14/h7-9,15H,2-6H2,1H3
InChIKeyMPRPFFJCLPZDPZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.03
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62755610) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62755610
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cc(CNC2CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C11H17F3N4/c1-18-7-10(16-17-18)6-15-9-4-2-3-8(5-9)11(12,13)14/h7-9,15H,2-6H2,1H3
InChIKeyMPRPFFJCLPZDPZ-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
CID 126815328
cis-(1S,2R)-N-methyl-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 137984832
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
cis-(1R,6S)-2,2-difluoro-6-(4-propan-2-yltriazol-1-yl)cyclohexan-1-amine
CID 156745997
(3R)-3-methyl-1-[[4-(trifluoromethyl)triazol-1-yl]methyl]-6-azabicyclo[3.1.1]heptane
CID 172374125
4-[[4-(Trifluoromethyl)triazol-1-yl]methyl]piperidine
CID 174287842
N-[[1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55073710
N-[(1-methyltriazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 55113700
N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426663
N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62426985
N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62426987

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 62755610) is N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cn1cc(CNC2CCCC(C(F)(F)F)C2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MPRPFFJCLPZDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-18-7-10(16-17-18)6-15-9-4-2-3-8(5-9)11(12,13)14/h7-9,15H,2-6H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 262.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62755610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).