(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine

C12H14F2N4 — CID 105038745

IUPAC(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N4/c1-2-6-18-10(7-16-17-18)12(15)8-4-3-5-9(13)11(8)14/h3-5,7,12H,2,6,15H2,1H3
InChIKeyRFQMYZMZAKVCRF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.01
Rot. Bonds4

About (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine

(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038745) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105038745
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N4/c1-2-6-18-10(7-16-17-18)12(15)8-4-3-5-9(13)11(8)14/h3-5,7,12H,2,6,15H2,1H3
InChIKeyRFQMYZMZAKVCRF-UHFFFAOYSA-N
XLogP2.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
(2-methoxy-3-pyridinyl)-(3-propyltriazol-4-yl)methanamine
CID 105182118
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine (CID 105038745) is (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is RFQMYZMZAKVCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-2-6-18-10(7-16-17-18)12(15)8-4-3-5-9(13)11(8)14/h3-5,7,12H,2,6,15H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 252.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).