3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine

C10H15N3O — CID 104540640

IUPAC3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
SMILESCC1OCCC1Nc1cccnc1N
InChIInChI=1S/C10H15N3O/c1-7-8(4-6-14-7)13-9-3-2-5-12-10(9)11/h2-3,5,7-8,13H,4,6H2,1H3,(H2,11,12)
InChIKeyHKETVBUIJVNGKA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds2

About 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine

3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine (PubChem CID 104540640) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
PubChem CID104540640
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
SMILESCC1OCCC1Nc1cccnc1N
InChIInChI=1S/C10H15N3O/c1-7-8(4-6-14-7)13-9-3-2-5-12-10(9)11/h2-3,5,7-8,13H,4,6H2,1H3,(H2,11,12)
InChIKeyHKETVBUIJVNGKA-UHFFFAOYSA-N
XLogP1.25
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine (CID 104540640) is 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine is CC1OCCC1Nc1cccnc1N.
What is the InChIKey of 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
The InChIKey is HKETVBUIJVNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-8(4-6-14-7)13-9-3-2-5-12-10(9)11/h2-3,5,7-8,13H,4,6H2,1H3,(H2,11,12).
What are the key properties of 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 104540640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).