2-(oxolan-3-yl)-1H-pyridine-2,3-diamine

C9H15N3O — CID 175173560

IUPAC2-(oxolan-3-yl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)C1CCOC1
InChIInChI=1S/C9H15N3O/c10-8-2-1-4-12-9(8,11)7-3-5-13-6-7/h1-2,4,7,12H,3,5-6,10-11H2
InChIKeyFUNFBKDSDRDMTA-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.36
Rot. Bonds1

About 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine

2-(oxolan-3-yl)-1H-pyridine-2,3-diamine (PubChem CID 175173560) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1H-pyridine-2,3-diamine
PubChem CID175173560
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(oxolan-3-yl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)C1CCOC1
InChIInChI=1S/C9H15N3O/c10-8-2-1-4-12-9(8,11)7-3-5-13-6-7/h1-2,4,7,12H,3,5-6,10-11H2
InChIKeyFUNFBKDSDRDMTA-UHFFFAOYSA-N
XLogP-0.36
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine (CID 175173560) is 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine is NC1=CC=CNC1(N)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine?
The InChIKey is FUNFBKDSDRDMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-2-1-4-12-9(8,11)7-3-5-13-6-7/h1-2,4,7,12H,3,5-6,10-11H2.
What are the key properties of 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine?
2-(oxolan-3-yl)-1H-pyridine-2,3-diamine has a molecular weight of 181.24 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 175173560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).