methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride

C8H13Cl2N3O3 — CID 23172736

IUPACmethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride
SMILESCOC(=O)OC1NCCc2[nH]cnc21.Cl.Cl
InChIInChI=1S/C8H11N3O3.2ClH/c1-13-8(12)14-7-6-5(2-3-9-7)10-4-11-6;;/h4,7,9H,2-3H2,1H3,(H,10,11);2*1H
InChIKeySZPKLIIMLQGNLP-UHFFFAOYSA-N
MW270.12 g/mol
LogP1.18
Rot. Bonds1

About methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride

methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride (PubChem CID 23172736) has the molecular formula C8H13Cl2N3O3 and a molecular weight of 270.12 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride
PubChem CID23172736
Molecular FormulaC8H13Cl2N3O3
Molecular Weight270.12 g/mol
Exact Mass269.03
IUPAC Namemethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride
SMILESCOC(=O)OC1NCCc2[nH]cnc21.Cl.Cl
InChIInChI=1S/C8H11N3O3.2ClH/c1-13-8(12)14-7-6-5(2-3-9-7)10-4-11-6;;/h4,7,9H,2-3H2,1H3,(H,10,11);2*1H
InChIKeySZPKLIIMLQGNLP-UHFFFAOYSA-N
XLogP1.18
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride?
The IUPAC name of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride (CID 23172736) is methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride.
What is the SMILES notation for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride?
The canonical SMILES for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride is COC(=O)OC1NCCc2[nH]cnc21.Cl.Cl.
What is the InChIKey of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride?
The InChIKey is SZPKLIIMLQGNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.2ClH/c1-13-8(12)14-7-6-5(2-3-9-7)10-4-11-6;;/h4,7,9H,2-3H2,1H3,(H,10,11);2*1H.
What are the key properties of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride?
methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride has a molecular weight of 270.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl carbonate;dihydrochloride is sourced from PubChem (CID 23172736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).