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

C10H14N4O — CID 83833362

IUPAC2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
SMILESCC(CN)N(C)c1nc2cccnc2o1
InChIInChI=1S/C10H14N4O/c1-7(6-11)14(2)10-13-8-4-3-5-12-9(8)15-10/h3-5,7H,6,11H2,1-2H3
InChIKeyYEHJWPVUFUEUDC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.01
Rot. Bonds3

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

2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine (PubChem CID 83833362) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
PubChem CID83833362
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
SMILESCC(CN)N(C)c1nc2cccnc2o1
InChIInChI=1S/C10H14N4O/c1-7(6-11)14(2)10-13-8-4-3-5-12-9(8)15-10/h3-5,7H,6,11H2,1-2H3
InChIKeyYEHJWPVUFUEUDC-UHFFFAOYSA-N
XLogP1.01
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine (CID 83833362) is 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine is CC(CN)N(C)c1nc2cccnc2o1.
What is the InChIKey of 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine?
The InChIKey is YEHJWPVUFUEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(6-11)14(2)10-13-8-4-3-5-12-9(8)15-10/h3-5,7H,6,11H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine?
2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine has a molecular weight of 206.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83833362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).