N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C10H14F2N6 — CID 62117908

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCc1nccn1C(F)F)c1nncn1C
InChIInChI=1S/C10H14F2N6/c1-7(9-16-15-6-17(9)2)14-5-8-13-3-4-18(8)10(11)12/h3-4,6-7,10,14H,5H2,1-2H3
InChIKeyOEMOCPZNTQOSQZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.26
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 62117908) has the molecular formula C10H14F2N6 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID62117908
Molecular FormulaC10H14F2N6
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCc1nccn1C(F)F)c1nncn1C
InChIInChI=1S/C10H14F2N6/c1-7(9-16-15-6-17(9)2)14-5-8-13-3-4-18(8)10(11)12/h3-4,6-7,10,14H,5H2,1-2H3
InChIKeyOEMOCPZNTQOSQZ-UHFFFAOYSA-N
XLogP1.26
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Imidazol-1-ylethyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53521957
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-imidazol-1-yl)propan-2-amine
CID 56713810
1-(3-Imidazol-1-ylpropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71894160
1,1-bis(1-methyl-1H-imidazol-2-yl)methanamine
CID 79006287
4-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-4H-1,2,4-triazole
CID 50965463
3-ethyl-7-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53562932
5-Ethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]tetrazole
CID 71879432
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 71943990
3-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 72848835
1-tert-butyl-5-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-methyl-1H-1,2,4-triazole
CID 72927815
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-ethyltetrazole
CID 84586024
N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine
CID 91840171

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 62117908) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(NCc1nccn1C(F)F)c1nncn1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is OEMOCPZNTQOSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N6/c1-7(9-16-15-6-17(9)2)14-5-8-13-3-4-18(8)10(11)12/h3-4,6-7,10,14H,5H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 256.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 62117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).