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

C12H12FN5 — CID 126679213

IUPAC7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(F)c2)c2c(n1)NNN2
InChIInChI=1S/C12H12FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6,16,18H,4H2,(H3,14,15,17)
InChIKeyWXKRQWJYMZKAPE-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.65
Rot. Bonds2

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

7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679213) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679213
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(F)c2)c2c(n1)NNN2
InChIInChI=1S/C12H12FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6,16,18H,4H2,(H3,14,15,17)
InChIKeyWXKRQWJYMZKAPE-UHFFFAOYSA-N
XLogP1.65
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Mpo-IN-4
CID 126650041
US10214527, Example 23
CID 126679246
US10214527, Example 43
CID 126677866
US10214527, Example 42
CID 126677867
US10214527, Example 33
CID 126678965
US10214527, Example 9
CID 126680077
US10214527, Example 34
CID 135341272
US10214527, Example 24
CID 135341275
US10214527, Example 28
CID 135341276
US10214527, Example 44
CID 135341284
US10214527, Example 50
CID 139268888
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126679213) is 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(F)c2)c2c(n1)NNN2.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WXKRQWJYMZKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c13-9-3-1-2-7(5-9)4-8-6-10(14)15-12-11(8)16-18-17-12/h1-3,5-6,16,18H,4H2,(H3,14,15,17).
What are the key properties of 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 245.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).