[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C14H16F2N4 — CID 105392362

IUPAC[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCc1ccc(F)c(-c2nnc3n2CCC(CN)C3)c1F
InChIInChI=1S/C14H16F2N4/c1-8-2-3-10(15)12(13(8)16)14-19-18-11-6-9(7-17)4-5-20(11)14/h2-3,9H,4-7,17H2,1H3
InChIKeyOYWZQXOUPDPGKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.05
Rot. Bonds2

About [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 105392362) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID105392362
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCc1ccc(F)c(-c2nnc3n2CCC(CN)C3)c1F
InChIInChI=1S/C14H16F2N4/c1-8-2-3-10(15)12(13(8)16)14-19-18-11-6-9(7-17)4-5-20(11)14/h2-3,9H,4-7,17H2,1H3
InChIKeyOYWZQXOUPDPGKF-UHFFFAOYSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine with MolForge

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Related Compounds

[3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392393
(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871112
2-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-fluorophenol
CID 136702660
5-[7-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenol
CID 105392360
[3-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392285
[3-(3-ethyl-1-methylpyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392334
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
[3-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 106831429
[3-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392348
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 105392323
3-(2,6-difluoro-3-methylphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 82816586
[3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392205

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 105392362) is [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is Cc1ccc(F)c(-c2nnc3n2CCC(CN)C3)c1F.
What is the InChIKey of [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is OYWZQXOUPDPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-8-2-3-10(15)12(13(8)16)14-19-18-11-6-9(7-17)4-5-20(11)14/h2-3,9H,4-7,17H2,1H3.
What are the key properties of [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 278.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluoro-3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 105392362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).