1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride

C16H21ClN6O2 — CID 164898721

IUPAC1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.Cn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCNCC3)cc21
InChIInChI=1S/C16H20N6O2.ClH/c1-20-13-10-11(21-8-5-17-6-9-21)2-3-12(13)15(19-20)22-7-4-14(23)18-16(22)24;/h2-3,10,17H,4-9H2,1H3,(H,18,23,24);1H
InChIKeyLAYZMNYPQLBQPW-UHFFFAOYSA-N
MW364.84 g/mol
LogP0.85
Rot. Bonds2

About 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride

1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 164898721) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID164898721
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.Cn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCNCC3)cc21
InChIInChI=1S/C16H20N6O2.ClH/c1-20-13-10-11(21-8-5-17-6-9-21)2-3-12(13)15(19-20)22-7-4-14(23)18-16(22)24;/h2-3,10,17H,4-9H2,1H3,(H,18,23,24);1H
InChIKeyLAYZMNYPQLBQPW-UHFFFAOYSA-N
XLogP0.85
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[4-[[(3-aminocyclobutyl)-methylamino]methyl]piperidin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178015377
benzyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 171565750
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
tert-butyl 6-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 171565372
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178017652
1-[6-[4-[[3-(4-aminopiperidin-1-yl)sulfonylphenyl]methyl]piperazin-1-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171565815
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
5-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]pent-4-ynyl methanesulfonate
CID 167273669
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride (CID 164898721) is 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride is Cl.Cn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCNCC3)cc21.
What is the InChIKey of 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is LAYZMNYPQLBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2.ClH/c1-20-13-10-11(21-8-5-17-6-9-21)2-3-12(13)15(19-20)22-7-4-14(23)18-16(22)24;/h2-3,10,17H,4-9H2,1H3,(H,18,23,24);1H.
What are the key properties of 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 164898721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).