4-methyl-3H-pyridine-3,4-diamine

C6H11N3 — CID 68823065

IUPAC4-methyl-3H-pyridine-3,4-diamine
SMILESCC1(N)C=CN=CC1N
InChIInChI=1S/C6H11N3/c1-6(8)2-3-9-4-5(6)7/h2-5H,7-8H2,1H3
InChIKeyIKCZUAFDLLTXBJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.37
Rot. Bonds

About 4-methyl-3H-pyridine-3,4-diamine

4-methyl-3H-pyridine-3,4-diamine (PubChem CID 68823065) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methyl-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-methyl-3H-pyridine-3,4-diamine
PubChem CID68823065
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-methyl-3H-pyridine-3,4-diamine
SMILESCC1(N)C=CN=CC1N
InChIInChI=1S/C6H11N3/c1-6(8)2-3-9-4-5(6)7/h2-5H,7-8H2,1H3
InChIKeyIKCZUAFDLLTXBJ-UHFFFAOYSA-N
XLogP-0.37
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-pyridine-3,4-diamine?
The IUPAC name of 4-methyl-3H-pyridine-3,4-diamine (CID 68823065) is 4-methyl-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-methyl-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-methyl-3H-pyridine-3,4-diamine is CC1(N)C=CN=CC1N.
What is the InChIKey of 4-methyl-3H-pyridine-3,4-diamine?
The InChIKey is IKCZUAFDLLTXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(8)2-3-9-4-5(6)7/h2-5H,7-8H2,1H3.
What are the key properties of 4-methyl-3H-pyridine-3,4-diamine?
4-methyl-3H-pyridine-3,4-diamine has a molecular weight of 125.17 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-pyridine-3,4-diamine is sourced from PubChem (CID 68823065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).