2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C7H12F2N4 — CID 62117537

IUPAC2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCC(NCC(F)F)c1nncn1C
InChIInChI=1S/C7H12F2N4/c1-5(10-3-6(8)9)7-12-11-4-13(7)2/h4-6,10H,3H2,1-2H3
InChIKeyPEEUVVAGKVNIFM-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.73
Rot. Bonds4

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

2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 62117537) has the molecular formula C7H12F2N4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID62117537
Molecular FormulaC7H12F2N4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCC(NCC(F)F)c1nncn1C
InChIInChI=1S/C7H12F2N4/c1-5(10-3-6(8)9)7-12-11-4-13(7)2/h4-6,10H,3H2,1-2H3
InChIKeyPEEUVVAGKVNIFM-UHFFFAOYSA-N
XLogP0.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
6-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 69363923
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252639
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
8-Methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 53393362
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 62117537) is 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is CC(NCC(F)F)c1nncn1C.
What is the InChIKey of 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is PEEUVVAGKVNIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4/c1-5(10-3-6(8)9)7-12-11-4-13(7)2/h4-6,10H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 190.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 62117537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).