(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C17H20Cl2N6O — CID 120730315

IUPAC(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1nnc2ccc(C(=O)N3CCNCC3c3cccnc3)cn12.Cl.Cl
InChIInChI=1S/C17H18N6O.2ClH/c1-12-20-21-16-5-4-14(11-23(12)16)17(24)22-8-7-19-10-15(22)13-3-2-6-18-9-13;;/h2-6,9,11,15,19H,7-8,10H2,1H3;2*1H
InChIKeyHDOUTEZJLZHLDJ-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.06
Rot. Bonds2

About (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120730315) has the molecular formula C17H20Cl2N6O and a molecular weight of 395.29 g/mol. Its IUPAC name is (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120730315
Molecular FormulaC17H20Cl2N6O
Molecular Weight395.29 g/mol
Exact Mass394.11
IUPAC Name(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1nnc2ccc(C(=O)N3CCNCC3c3cccnc3)cn12.Cl.Cl
InChIInChI=1S/C17H18N6O.2ClH/c1-12-20-21-16-5-4-14(11-23(12)16)17(24)22-8-7-19-10-15(22)13-3-2-6-18-9-13;;/h2-6,9,11,15,19H,7-8,10H2,1H3;2*1H
InChIKeyHDOUTEZJLZHLDJ-UHFFFAOYSA-N
XLogP2.06
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730316
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732506
[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
CID 120733748
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
7-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 120732049

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120730315) is (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is Cc1nnc2ccc(C(=O)N3CCNCC3c3cccnc3)cn12.Cl.Cl.
What is the InChIKey of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is HDOUTEZJLZHLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O.2ClH/c1-12-20-21-16-5-4-14(11-23(12)16)17(24)22-8-7-19-10-15(22)13-3-2-6-18-9-13;;/h2-6,9,11,15,19H,7-8,10H2,1H3;2*1H.
What are the key properties of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 395.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120730315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).