6-methylpyridine-3,4-diamine;dihydrochloride

C6H11Cl2N3 — CID 70700317

IUPAC6-methylpyridine-3,4-diamine;dihydrochloride
SMILESCc1cc(N)c(N)cn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-4-2-5(7)6(8)3-9-4;;/h2-3H,8H2,1H3,(H2,7,9);2*1H
InChIKeyJRQTXAVXNKCMPF-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.40
Rot. Bonds

About 6-methylpyridine-3,4-diamine;dihydrochloride

6-methylpyridine-3,4-diamine;dihydrochloride (PubChem CID 70700317) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 6-methylpyridine-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-methylpyridine-3,4-diamine;dihydrochloride
PubChem CID70700317
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name6-methylpyridine-3,4-diamine;dihydrochloride
SMILESCc1cc(N)c(N)cn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-4-2-5(7)6(8)3-9-4;;/h2-3H,8H2,1H3,(H2,7,9);2*1H
InChIKeyJRQTXAVXNKCMPF-UHFFFAOYSA-N
XLogP1.40
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methylpyridine-3,4-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methylpyridine-3,4-diamine;dihydrochloride?
The IUPAC name of 6-methylpyridine-3,4-diamine;dihydrochloride (CID 70700317) is 6-methylpyridine-3,4-diamine;dihydrochloride.
What is the SMILES notation for 6-methylpyridine-3,4-diamine;dihydrochloride?
The canonical SMILES for 6-methylpyridine-3,4-diamine;dihydrochloride is Cc1cc(N)c(N)cn1.Cl.Cl.
What is the InChIKey of 6-methylpyridine-3,4-diamine;dihydrochloride?
The InChIKey is JRQTXAVXNKCMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-4-2-5(7)6(8)3-9-4;;/h2-3H,8H2,1H3,(H2,7,9);2*1H.
What are the key properties of 6-methylpyridine-3,4-diamine;dihydrochloride?
6-methylpyridine-3,4-diamine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-3,4-diamine;dihydrochloride is sourced from PubChem (CID 70700317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).