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

C9H12N4O — CID 83830093

IUPACN'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
SMILESCc1noc2nccc(NCCN)c12
InChIInChI=1S/C9H12N4O/c1-6-8-7(11-5-3-10)2-4-12-9(8)14-13-6/h2,4H,3,5,10H2,1H3,(H,11,12)
InChIKeyDJZNSGWTBNZJDW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.90
Rot. Bonds3

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

N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine (PubChem CID 83830093) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
PubChem CID83830093
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine
SMILESCc1noc2nccc(NCCN)c12
InChIInChI=1S/C9H12N4O/c1-6-8-7(11-5-3-10)2-4-12-9(8)14-13-6/h2,4H,3,5,10H2,1H3,(H,11,12)
InChIKeyDJZNSGWTBNZJDW-UHFFFAOYSA-N
XLogP0.90
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine (CID 83830093) is N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine is Cc1noc2nccc(NCCN)c12.
What is the InChIKey of N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine?
The InChIKey is DJZNSGWTBNZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-8-7(11-5-3-10)2-4-12-9(8)14-13-6/h2,4H,3,5,10H2,1H3,(H,11,12).
What are the key properties of N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine?
N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine has a molecular weight of 192.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83830093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).