1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine

C7H12F2N4 — CID 130715109

IUPAC1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
SMILESCCn1nncc1C(N)C(C)(F)F
InChIInChI=1S/C7H12F2N4/c1-3-13-5(4-11-12-13)6(10)7(2,8)9/h4,6H,3,10H2,1-2H3
InChIKeyXRZDPXUBYZSYAH-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.95
Rot. Bonds3

About 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine

1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine (PubChem CID 130715109) has the molecular formula C7H12F2N4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
PubChem CID130715109
Molecular FormulaC7H12F2N4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
SMILESCCn1nncc1C(N)C(C)(F)F
InChIInChI=1S/C7H12F2N4/c1-3-13-5(4-11-12-13)6(10)7(2,8)9/h4,6H,3,10H2,1-2H3
InChIKeyXRZDPXUBYZSYAH-UHFFFAOYSA-N
XLogP0.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213442
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213187
(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
CID 130484270
2-(3-ethyltriazol-4-yl)propan-2-ol
CID 115012063
2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 114213225
1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
CID 114213613
[(3-ethyltriazol-4-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 114213659
N-ethyl-1-(3-ethyltriazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114213297
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine (CID 130715109) is 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine is CCn1nncc1C(N)C(C)(F)F.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine?
The InChIKey is XRZDPXUBYZSYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4/c1-3-13-5(4-11-12-13)6(10)7(2,8)9/h4,6H,3,10H2,1-2H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine?
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine has a molecular weight of 190.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 130715109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).