3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride

C12H11Cl2FN4 — CID 138040683

IUPAC3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2nnc(-c3ccc(F)cc3)n2c1
InChIInChI=1S/C12H9FN4.2ClH/c13-9-3-1-8(2-4-9)12-16-15-11-6-5-10(14)7-17(11)12;;/h1-7H,14H2;2*1H
InChIKeyMAUAHVPINVEBTC-UHFFFAOYSA-N
MW301.15 g/mol
LogP2.96
Rot. Bonds1

About 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride

3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride (PubChem CID 138040683) has the molecular formula C12H11Cl2FN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
PubChem CID138040683
Molecular FormulaC12H11Cl2FN4
Molecular Weight301.15 g/mol
Exact Mass300.03
IUPAC Name3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2nnc(-c3ccc(F)cc3)n2c1
InChIInChI=1S/C12H9FN4.2ClH/c13-9-3-1-8(2-4-9)12-16-15-11-6-5-10(14)7-17(11)12;;/h1-7H,14H2;2*1H
InChIKeyMAUAHVPINVEBTC-UHFFFAOYSA-N
XLogP2.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride (CID 138040683) is 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride is Cl.Cl.Nc1ccc2nnc(-c3ccc(F)cc3)n2c1.
What is the InChIKey of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride?
The InChIKey is MAUAHVPINVEBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4.2ClH/c13-9-3-1-8(2-4-9)12-16-15-11-6-5-10(14)7-17(11)12;;/h1-7H,14H2;2*1H.
What are the key properties of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride?
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride has a molecular weight of 301.15 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride is sourced from PubChem (CID 138040683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).