4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol

C9H13N3O2 — CID 130688470

IUPAC4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol
SMILESNc1ncccc1NC1COCC1O
InChIInChI=1S/C9H13N3O2/c10-9-6(2-1-3-11-9)12-7-4-14-5-8(7)13/h1-3,7-8,12-13H,4-5H2,(H2,10,11)
InChIKeyZFTRNDOBALLREP-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.16
Rot. Bonds2

About 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol

4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol (PubChem CID 130688470) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol
PubChem CID130688470
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol
SMILESNc1ncccc1NC1COCC1O
InChIInChI=1S/C9H13N3O2/c10-9-6(2-1-3-11-9)12-7-4-14-5-8(7)13/h1-3,7-8,12-13H,4-5H2,(H2,10,11)
InChIKeyZFTRNDOBALLREP-UHFFFAOYSA-N
XLogP-0.16
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol (CID 130688470) is 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol is Nc1ncccc1NC1COCC1O.
What is the InChIKey of 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol?
The InChIKey is ZFTRNDOBALLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9-6(2-1-3-11-9)12-7-4-14-5-8(7)13/h1-3,7-8,12-13H,4-5H2,(H2,10,11).
What are the key properties of 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol?
4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol has a molecular weight of 195.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol is sourced from PubChem (CID 130688470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).