[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine

C10H10F2N4 — CID 82207937

IUPAC[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N4/c1-16-10(9(5-13)14-15-16)6-2-3-7(11)8(12)4-6/h2-4H,5,13H2,1H3
InChIKeyLRSYZVAGJPKZAH-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.22
Rot. Bonds2

About [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine

[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine (PubChem CID 82207937) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
PubChem CID82207937
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
SMILESCn1nnc(CN)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N4/c1-16-10(9(5-13)14-15-16)6-2-3-7(11)8(12)4-6/h2-4H,5,13H2,1H3
InChIKeyLRSYZVAGJPKZAH-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[5-(3,4-difluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962757
[5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)triazol-4-yl]methanamine
CID 94936044
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[1-cyclopropyl-5-(4-fluorophenyl)triazol-4-yl]methanamine
CID 105490807
[1-ethyl-5-(2,3,4-trifluorophenyl)triazol-4-yl]methanamine
CID 82207516
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
5-(3,4-difluorophenyl)-1-propyltriazole-4-carboxylic acid
CID 82204875
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
CID 106463197

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine (CID 82207937) is [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine is Cn1nnc(CN)c1-c1ccc(F)c(F)c1.
What is the InChIKey of [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine?
The InChIKey is LRSYZVAGJPKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-10(9(5-13)14-15-16)6-2-3-7(11)8(12)4-6/h2-4H,5,13H2,1H3.
What are the key properties of [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine?
[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).