N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine

C14H18F3N5O — CID 167839387

IUPACN-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine
SMILESCOCn1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)nn1
InChIInChI=1S/C14H18F3N5O/c1-21(2)11-5-4-10(12(6-11)14(15,16)17)7-18-13-8-22(9-23-3)20-19-13/h4-6,8,18H,7,9H2,1-3H3
InChIKeyMRNFSDHSESUEKZ-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.58
Rot. Bonds6

About N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine

N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine (PubChem CID 167839387) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine
PubChem CID167839387
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine
SMILESCOCn1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)nn1
InChIInChI=1S/C14H18F3N5O/c1-21(2)11-5-4-10(12(6-11)14(15,16)17)7-18-13-8-22(9-23-3)20-19-13/h4-6,8,18H,7,9H2,1-3H3
InChIKeyMRNFSDHSESUEKZ-UHFFFAOYSA-N
XLogP2.58
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970800
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-ethyltriazol-4-amine
CID 167943879
1-benzyl-N-[(2,4-difluorophenyl)methyl]triazol-4-amine
CID 99801759
4-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)aniline
CID 61450136
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 133275381
ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
CID 60505506
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 94674112
1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
CID 43728941
4-(bromomethyl)-N-methyl-N-(4-methylphenyl)-3-(trifluoromethyl)aniline
CID 107082606
4-(bromomethyl)-N-(2,2-dimethylpropyl)-N-methyl-3-(trifluoromethyl)aniline
CID 107082381
2-[5-(dimethylamino)-2-(trifluoromethyl)phenyl]acetonitrile
CID 115111000

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine?
The IUPAC name of N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine (CID 167839387) is N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine is COCn1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)nn1.
What is the InChIKey of N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine?
The InChIKey is MRNFSDHSESUEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-21(2)11-5-4-10(12(6-11)14(15,16)17)7-18-13-8-22(9-23-3)20-19-13/h4-6,8,18H,7,9H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine?
N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine has a molecular weight of 329.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-2-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)triazol-4-amine is sourced from PubChem (CID 167839387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).