N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine

C9H12N4O — CID 83830097

IUPACN'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine
SMILESCN(CCN)c1nc2ncccc2o1
InChIInChI=1S/C9H12N4O/c1-13(6-4-10)9-12-8-7(14-9)3-2-5-11-8/h2-3,5H,4,6,10H2,1H3
InChIKeyHPPXDURCLDMCBN-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.62
Rot. Bonds3

About N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine

N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine (PubChem CID 83830097) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine
PubChem CID83830097
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine
SMILESCN(CCN)c1nc2ncccc2o1
InChIInChI=1S/C9H12N4O/c1-13(6-4-10)9-12-8-7(14-9)3-2-5-11-8/h2-3,5H,4,6,10H2,1H3
InChIKeyHPPXDURCLDMCBN-UHFFFAOYSA-N
XLogP0.62
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine (CID 83830097) is N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine is CN(CCN)c1nc2ncccc2o1.
What is the InChIKey of N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is HPPXDURCLDMCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13(6-4-10)9-12-8-7(14-9)3-2-5-11-8/h2-3,5H,4,6,10H2,1H3.
What are the key properties of N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine?
N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 192.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-([1,3]oxazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83830097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).