7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride

C7H13Cl2N3 — CID 126821740

IUPAC7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride
SMILESCC1CNCc2cn[nH]c21.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-5-2-8-3-6-4-9-10-7(5)6;;/h4-5,8H,2-3H2,1H3,(H,9,10);2*1H
InChIKeyATAOTHZUCZFBTI-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.46
Rot. Bonds

About 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride

7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride (PubChem CID 126821740) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride
PubChem CID126821740
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride
SMILESCC1CNCc2cn[nH]c21.Cl.Cl
InChIInChI=1S/C7H11N3.2ClH/c1-5-2-8-3-6-4-9-10-7(5)6;;/h4-5,8H,2-3H2,1H3,(H,9,10);2*1H
InChIKeyATAOTHZUCZFBTI-UHFFFAOYSA-N
XLogP1.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride (CID 126821740) is 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride is CC1CNCc2cn[nH]c21.Cl.Cl.
What is the InChIKey of 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride?
The InChIKey is ATAOTHZUCZFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-5-2-8-3-6-4-9-10-7(5)6;;/h4-5,8H,2-3H2,1H3,(H,9,10);2*1H.
What are the key properties of 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride?
7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 126821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).