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

C8H14F2N4 — CID 115406742

IUPAC2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1ncnc1CNCC(F)F
InChIInChI=1S/C8H14F2N4/c1-2-3-14-8(12-6-13-14)5-11-4-7(9)10/h6-7,11H,2-5H2,1H3
InChIKeyZYNLPNOMXBYDMR-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.04
Rot. Bonds6

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

2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 115406742) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID115406742
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCCn1ncnc1CNCC(F)F
InChIInChI=1S/C8H14F2N4/c1-2-3-14-8(12-6-13-14)5-11-4-7(9)10/h6-7,11H,2-5H2,1H3
InChIKeyZYNLPNOMXBYDMR-UHFFFAOYSA-N
XLogP1.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
6-bromo-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 107844546
2-methyl-N-[[2-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106730602
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 115455578
2-(4-methylpyrazol-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107302391
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
N-[[2-(4-methoxybutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 104649613

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 115406742) is 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCCn1ncnc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is ZYNLPNOMXBYDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-2-3-14-8(12-6-13-14)5-11-4-7(9)10/h6-7,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 204.22 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115406742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).