2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine

C11H16N4O — CID 83837814

IUPAC2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
SMILESCc1noc2nc(N(C)C(C)CN)ccc12
InChIInChI=1S/C11H16N4O/c1-7(6-12)15(3)10-5-4-9-8(2)14-16-11(9)13-10/h4-5,7H,6,12H2,1-3H3
InChIKeyFPXKEPKKTNEZSX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.31
Rot. Bonds3

About 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine

2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine (PubChem CID 83837814) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
PubChem CID83837814
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
SMILESCc1noc2nc(N(C)C(C)CN)ccc12
InChIInChI=1S/C11H16N4O/c1-7(6-12)15(3)10-5-4-9-8(2)14-16-11(9)13-10/h4-5,7H,6,12H2,1-3H3
InChIKeyFPXKEPKKTNEZSX-UHFFFAOYSA-N
XLogP1.31
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.31
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-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine (CID 83837814) is 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine is Cc1noc2nc(N(C)C(C)CN)ccc12.
What is the InChIKey of 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine?
The InChIKey is FPXKEPKKTNEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(6-12)15(3)10-5-4-9-8(2)14-16-11(9)13-10/h4-5,7H,6,12H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine?
2-N-methyl-2-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.31, 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-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 83837814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).