5-methylpyridine-2,3-diamine

C6H9N3 — CID 10701825

IUPAC5-methylpyridine-2,3-diamine
SMILESCc1cnc(N)c(N)c1
InChIInChI=1S/C6H9N3/c1-4-2-5(7)6(8)9-3-4/h2-3H,7H2,1H3,(H2,8,9)
InChIKeyAITFREYTVOPXOT-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.55
Rot. Bonds

About 5-methylpyridine-2,3-diamine

5-methylpyridine-2,3-diamine (PubChem CID 10701825) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-methylpyridine-2,3-diamine
PubChem CID10701825
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methylpyridine-2,3-diamine
SMILESCc1cnc(N)c(N)c1
InChIInChI=1S/C6H9N3/c1-4-2-5(7)6(8)9-3-4/h2-3H,7H2,1H3,(H2,8,9)
InChIKeyAITFREYTVOPXOT-UHFFFAOYSA-N
XLogP0.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-2,3-diamine?
The IUPAC name of 5-methylpyridine-2,3-diamine (CID 10701825) is 5-methylpyridine-2,3-diamine.
What is the SMILES notation for 5-methylpyridine-2,3-diamine?
The canonical SMILES for 5-methylpyridine-2,3-diamine is Cc1cnc(N)c(N)c1.
What is the InChIKey of 5-methylpyridine-2,3-diamine?
The InChIKey is AITFREYTVOPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-2-5(7)6(8)9-3-4/h2-3H,7H2,1H3,(H2,8,9).
What are the key properties of 5-methylpyridine-2,3-diamine?
5-methylpyridine-2,3-diamine has a molecular weight of 123.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-2,3-diamine is sourced from PubChem (CID 10701825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).