3-methyl-2,3-dihydropyridine-5,6-diamine

C6H11N3 — CID 89382220

IUPAC3-methyl-2,3-dihydropyridine-5,6-diamine
SMILESCC1C=C(N)C(N)=NC1
InChIInChI=1S/C6H11N3/c1-4-2-5(7)6(8)9-3-4/h2,4H,3,7H2,1H3,(H2,8,9)
InChIKeyOPLHRLMSLPUSTM-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.16
Rot. Bonds

About 3-methyl-2,3-dihydropyridine-5,6-diamine

3-methyl-2,3-dihydropyridine-5,6-diamine (PubChem CID 89382220) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyl-2,3-dihydropyridine-5,6-diamine.

Molecular Properties

Compound Name3-methyl-2,3-dihydropyridine-5,6-diamine
PubChem CID89382220
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-methyl-2,3-dihydropyridine-5,6-diamine
SMILESCC1C=C(N)C(N)=NC1
InChIInChI=1S/C6H11N3/c1-4-2-5(7)6(8)9-3-4/h2,4H,3,7H2,1H3,(H2,8,9)
InChIKeyOPLHRLMSLPUSTM-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydropyridine-5,6-diamine?
The IUPAC name of 3-methyl-2,3-dihydropyridine-5,6-diamine (CID 89382220) is 3-methyl-2,3-dihydropyridine-5,6-diamine.
What is the SMILES notation for 3-methyl-2,3-dihydropyridine-5,6-diamine?
The canonical SMILES for 3-methyl-2,3-dihydropyridine-5,6-diamine is CC1C=C(N)C(N)=NC1.
What is the InChIKey of 3-methyl-2,3-dihydropyridine-5,6-diamine?
The InChIKey is OPLHRLMSLPUSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-2-5(7)6(8)9-3-4/h2,4H,3,7H2,1H3,(H2,8,9).
What are the key properties of 3-methyl-2,3-dihydropyridine-5,6-diamine?
3-methyl-2,3-dihydropyridine-5,6-diamine has a molecular weight of 125.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydropyridine-5,6-diamine is sourced from PubChem (CID 89382220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).