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

C9H12N4O — CID 83830113

IUPAC1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine
SMILESCC(N)CNc1cc2oncc2cn1
InChIInChI=1S/C9H12N4O/c1-6(10)3-11-9-2-8-7(4-12-9)5-13-14-8/h2,4-6H,3,10H2,1H3,(H,11,12)
InChIKeyRWIODWNGWGMGTQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.98
Rot. Bonds3

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

1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine (PubChem CID 83830113) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine
PubChem CID83830113
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine
SMILESCC(N)CNc1cc2oncc2cn1
InChIInChI=1S/C9H12N4O/c1-6(10)3-11-9-2-8-7(4-12-9)5-13-14-8/h2,4-6H,3,10H2,1H3,(H,11,12)
InChIKeyRWIODWNGWGMGTQ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1-methylpyrazolo[4,3-c]pyridin-6-yl)propane-1,2-diamine
CID 83832947
1-N-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propane-1,2-diamine
CID 112710005
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83833742
1-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 83830095
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine
CID 83833739
4-(2-aminopropylamino)pyrimidine-2-carbonitrile
CID 130587580
5-tert-butyl-6-propan-2-yl-1,2-benzoxazole
CID 90145716
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 59765899

Frequently Asked Questions

What is the IUPAC name of 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine?
The IUPAC name of 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine (CID 83830113) is 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine is CC(N)CNc1cc2oncc2cn1.
What is the InChIKey of 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine?
The InChIKey is RWIODWNGWGMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(10)3-11-9-2-8-7(4-12-9)5-13-14-8/h2,4-6H,3,10H2,1H3,(H,11,12).
What are the key properties of 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine?
1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine has a molecular weight of 192.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine is sourced from PubChem (CID 83830113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).