2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride

C18H25ClN6O2 — CID 120853556

IUPAC2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc3c1NCC3)C2.Cl
InChIInChI=1S/C18H24N6O2.ClH/c1-21(2)16(25)12-24-18(26)23-9-8-22(11-15(23)20-24)10-14-5-3-4-13-6-7-19-17(13)14;/h3-5,19H,6-12H2,1-2H3;1H
InChIKeyBIBHWJGBFVAUFI-UHFFFAOYSA-N
MW392.89 g/mol
LogP0.54
Rot. Bonds4

About 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride

2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride (PubChem CID 120853556) has the molecular formula C18H25ClN6O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride
PubChem CID120853556
Molecular FormulaC18H25ClN6O2
Molecular Weight392.89 g/mol
Exact Mass392.17
IUPAC Name2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc3c1NCC3)C2.Cl
InChIInChI=1S/C18H24N6O2.ClH/c1-21(2)16(25)12-24-18(26)23-9-8-22(11-15(23)20-24)10-14-5-3-4-13-6-7-19-17(13)14;/h3-5,19H,6-12H2,1-2H3;1H
InChIKeyBIBHWJGBFVAUFI-UHFFFAOYSA-N
XLogP0.54
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride with MolForge

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
CID 120849423
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 120849479
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 120849480
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
CID 80649036
7-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120847704
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
CID 120855200
1-(2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 120847846
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride (CID 120853556) is 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc3c1NCC3)C2.Cl.
What is the InChIKey of 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
The InChIKey is BIBHWJGBFVAUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2.ClH/c1-21(2)16(25)12-24-18(26)23-9-8-22(11-15(23)20-24)10-14-5-3-4-13-6-7-19-17(13)14;/h3-5,19H,6-12H2,1-2H3;1H.
What are the key properties of 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,3-dihydro-1H-indol-7-ylmethyl)-3-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 120853556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).