3-methyl-2H-pyridine-2,3-diamine

C6H11N3 — CID 154105183

IUPAC3-methyl-2H-pyridine-2,3-diamine
SMILESCC1(N)C=CC=NC1N
InChIInChI=1S/C6H11N3/c1-6(8)3-2-4-9-5(6)7/h2-5H,7-8H2,1H3
InChIKeyXBWZYELCPHGWRF-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.37
Rot. Bonds

About 3-methyl-2H-pyridine-2,3-diamine

3-methyl-2H-pyridine-2,3-diamine (PubChem CID 154105183) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyl-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-methyl-2H-pyridine-2,3-diamine
PubChem CID154105183
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-methyl-2H-pyridine-2,3-diamine
SMILESCC1(N)C=CC=NC1N
InChIInChI=1S/C6H11N3/c1-6(8)3-2-4-9-5(6)7/h2-5H,7-8H2,1H3
InChIKeyXBWZYELCPHGWRF-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 3-methyl-2H-pyridine-2,3-diamine?
The IUPAC name of 3-methyl-2H-pyridine-2,3-diamine (CID 154105183) is 3-methyl-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-methyl-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-methyl-2H-pyridine-2,3-diamine is CC1(N)C=CC=NC1N.
What is the InChIKey of 3-methyl-2H-pyridine-2,3-diamine?
The InChIKey is XBWZYELCPHGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(8)3-2-4-9-5(6)7/h2-5H,7-8H2,1H3.
What are the key properties of 3-methyl-2H-pyridine-2,3-diamine?
3-methyl-2H-pyridine-2,3-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 3-methyl-2H-pyridine-2,3-diamine is sourced from PubChem (CID 154105183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).