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

C10H10F2N4 — CID 114686969

IUPAC(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N4/c1-16-9(5-14-15-16)10(13)6-2-3-7(11)8(12)4-6/h2-5,10H,13H2,1H3
InChIKeyYDOMJBGLCYCNOU-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.14
Rot. Bonds2

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

(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 114686969) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID114686969
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N4/c1-16-9(5-14-15-16)10(13)6-2-3-7(11)8(12)4-6/h2-5,10H,13H2,1H3
InChIKeyYDOMJBGLCYCNOU-UHFFFAOYSA-N
XLogP1.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114886665
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 105184703
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methyltriazol-4-yl)methanamine
CID 114688634
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine (CID 114686969) is (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is YDOMJBGLCYCNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-9(5-14-15-16)10(13)6-2-3-7(11)8(12)4-6/h2-5,10H,13H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine?
(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114686969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).