4-N-methylpyridine-3,4-diamine

C6H9N3 — CID 910412

IUPAC4-N-methylpyridine-3,4-diamine
SMILESCNc1ccncc1N
InChIInChI=1S/C6H9N3/c1-8-6-2-3-9-4-5(6)7/h2-4H,7H2,1H3,(H,8,9)
InChIKeyCACZIDDDEFIYTF-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.71
Rot. Bonds1

About 4-N-methylpyridine-3,4-diamine

4-N-methylpyridine-3,4-diamine (PubChem CID 910412) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methylpyridine-3,4-diamine
PubChem CID910412
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-N-methylpyridine-3,4-diamine
SMILESCNc1ccncc1N
InChIInChI=1S/C6H9N3/c1-8-6-2-3-9-4-5(6)7/h2-4H,7H2,1H3,(H,8,9)
InChIKeyCACZIDDDEFIYTF-UHFFFAOYSA-N
XLogP0.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-methylpyridine-3,4-diamine (CID 910412) is 4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-methylpyridine-3,4-diamine is CNc1ccncc1N.
What is the InChIKey of 4-N-methylpyridine-3,4-diamine?
The InChIKey is CACZIDDDEFIYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-8-6-2-3-9-4-5(6)7/h2-4H,7H2,1H3,(H,8,9).
What are the key properties of 4-N-methylpyridine-3,4-diamine?
4-N-methylpyridine-3,4-diamine has a molecular weight of 123.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 910412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).