7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C12H11F2N5 — CID 126677860

IUPAC7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cc(F)ccc2F)c2c(n1)NNN2
InChIInChI=1S/C12H11F2N5/c13-8-1-2-9(14)6(4-8)3-7-5-10(15)16-12-11(7)17-19-18-12/h1-2,4-5,17,19H,3H2,(H3,15,16,18)
InChIKeyVFAPGNWFKWWHPH-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.79
Rot. Bonds2

About 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126677860) has the molecular formula C12H11F2N5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126677860
Molecular FormulaC12H11F2N5
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cc(F)ccc2F)c2c(n1)NNN2
InChIInChI=1S/C12H11F2N5/c13-8-1-2-9(14)6(4-8)3-7-5-10(15)16-12-11(7)17-19-18-12/h1-2,4-5,17,19H,3H2,(H3,15,16,18)
InChIKeyVFAPGNWFKWWHPH-UHFFFAOYSA-N
XLogP1.79
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

US10214527, Example 23
CID 126679246
US10214527, Example 43
CID 126677866
US10214527, Example 42
CID 126677867
US10214527, Example 33
CID 126678965
US10214527, Example 34
CID 135341272
US10214527, Example 24
CID 135341275
US10214527, Example 28
CID 135341276
US10214527, Example 44
CID 135341284
3-[[4-(Trifluoromethyl)phenyl]diazenyl]pyridine-2,6-diamine
CID 178307502
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
1-Methyl-5-(4-fluorophenyl)-1-methyl-3,6,7,8-tetrahydrocyclopenta[d]pyrazolo[3,4-b]pyridine
CID 129754118
2,3-Diamino-6-(2-fluorophenyl)pyridine
CID 21956061

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126677860) is 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cc(F)ccc2F)c2c(n1)NNN2.
What is the InChIKey of 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VFAPGNWFKWWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5/c13-8-1-2-9(14)6(4-8)3-7-5-10(15)16-12-11(7)17-19-18-12/h1-2,4-5,17,19H,3H2,(H3,15,16,18).
What are the key properties of 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 263.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-difluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126677860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).