2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride

C7H13Cl2N3 — CID 133054039

IUPAC2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride
SMILESCl.Cl.Cn1cc2c(n1)CNCC2
InChIInChI=1S/C7H11N3.2ClH/c1-10-5-6-2-3-8-4-7(6)9-10;;/h5,8H,2-4H2,1H3;2*1H
InChIKeyQEOMDSYWNVTOFP-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.91
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride

2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride (PubChem CID 133054039) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride
PubChem CID133054039
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride
SMILESCl.Cl.Cn1cc2c(n1)CNCC2
InChIInChI=1S/C7H11N3.2ClH/c1-10-5-6-2-3-8-4-7(6)9-10;;/h5,8H,2-4H2,1H3;2*1H
InChIKeyQEOMDSYWNVTOFP-UHFFFAOYSA-N
XLogP0.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride (CID 133054039) is 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride is Cl.Cl.Cn1cc2c(n1)CNCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride?
The InChIKey is QEOMDSYWNVTOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-10-5-6-2-3-8-4-7(6)9-10;;/h5,8H,2-4H2,1H3;2*1H.
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride?
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride is sourced from PubChem (CID 133054039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).