N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine

C11H14FN5 — CID 167752399

IUPACN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine
SMILESCN(C)c1ccc(CNn2cnnc2)cc1F
InChIInChI=1S/C11H14FN5/c1-16(2)11-4-3-9(5-10(11)12)6-15-17-7-13-14-8-17/h3-5,7-8,15H,6H2,1-2H3
InChIKeyVEKRTDPHKWGOMA-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.23
Rot. Bonds4

About N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine (PubChem CID 167752399) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine
PubChem CID167752399
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC NameN-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine
SMILESCN(C)c1ccc(CNn2cnnc2)cc1F
InChIInChI=1S/C11H14FN5/c1-16(2)11-4-3-9(5-10(11)12)6-15-17-7-13-14-8-17/h3-5,7-8,15H,6H2,1-2H3
InChIKeyVEKRTDPHKWGOMA-UHFFFAOYSA-N
XLogP1.23
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-2-fluoro-N,N-dimethylaniline;hydrochloride
CID 22072566
2-fluoro-N,N-dimethyl-4-propylaniline
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1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
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1-tert-butyl-N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 99787295
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707785
4-chloro-2-N-[(3,4-difluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231688
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine (CID 167752399) is N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine is CN(C)c1ccc(CNn2cnnc2)cc1F.
What is the InChIKey of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine?
The InChIKey is VEKRTDPHKWGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-16(2)11-4-3-9(5-10(11)12)6-15-17-7-13-14-8-17/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine?
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine has a molecular weight of 235.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 167752399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).