(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine

C11H12F2N4 — CID 114213148

IUPAC(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
SMILESCCn1nncc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N4/c1-2-17-10(6-15-16-17)11(14)7-3-4-8(12)9(13)5-7/h3-6,11H,2,14H2,1H3
InChIKeyWZRREDHMBIFCPD-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.62
Rot. Bonds3

About (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine

(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine (PubChem CID 114213148) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
PubChem CID114213148
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
SMILESCCn1nncc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N4/c1-2-17-10(6-15-16-17)11(14)7-3-4-8(12)9(13)5-7/h3-6,11H,2,14H2,1H3
InChIKeyWZRREDHMBIFCPD-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686969
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
(4-bromo-3-chlorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213506
(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213442
(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
CID 130484270
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine (CID 114213148) is (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine is CCn1nncc1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine?
The InChIKey is WZRREDHMBIFCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-2-17-10(6-15-16-17)11(14)7-3-4-8(12)9(13)5-7/h3-6,11H,2,14H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine?
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine has a molecular weight of 238.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine is sourced from PubChem (CID 114213148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).