6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H19ClN6 — CID 82555429

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)cn2nc(N)nc12
InChIInChI=1S/C17H19ClN6/c1-12-9-15(11-24-16(12)20-17(19)21-24)23-7-5-22(6-8-23)14-4-2-3-13(18)10-14/h2-4,9-11H,5-8H2,1H3,(H2,19,21)
InChIKeyDALFHNRTXUYYET-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.60
Rot. Bonds2

About 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82555429) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82555429
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)cn2nc(N)nc12
InChIInChI=1S/C17H19ClN6/c1-12-9-15(11-24-16(12)20-17(19)21-24)23-7-5-22(6-8-23)14-4-2-3-13(18)10-14/h2-4,9-11H,5-8H2,1H3,(H2,19,21)
InChIKeyDALFHNRTXUYYET-UHFFFAOYSA-N
XLogP2.60
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
4-(3-chlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carboximidamide
CID 17017767
[4-(3-chlorophenyl)piperazin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 87051382
1-(3-chlorophenyl)azonane
CID 145391535
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82555429) is 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)cn2nc(N)nc12.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DALFHNRTXUYYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-12-9-15(11-24-16(12)20-17(19)21-24)23-7-5-22(6-8-23)14-4-2-3-13(18)10-14/h2-4,9-11H,5-8H2,1H3,(H2,19,21).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 342.83 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82555429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).