3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine

C8H9N5O — CID 106424136

IUPAC3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCc1ccno1
InChIInChI=1S/C8H9N5O/c9-7-8(11-4-3-10-7)12-5-6-1-2-13-14-6/h1-4H,5H2,(H2,9,10)(H,11,12)
InChIKeyOIAWVJQFVLZTRF-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.66
Rot. Bonds3

About 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine

3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine (PubChem CID 106424136) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
PubChem CID106424136
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCc1ccno1
InChIInChI=1S/C8H9N5O/c9-7-8(11-4-3-10-7)12-5-6-1-2-13-14-6/h1-4H,5H2,(H2,9,10)(H,11,12)
InChIKeyOIAWVJQFVLZTRF-UHFFFAOYSA-N
XLogP0.66
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136902041
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
6-hydrazinyl-5-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106424788
4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
CID 106414475
1,2-oxazol-5-ylmethylhydrazine
CID 141044589
N-(1,2-oxazol-5-ylmethyl)pyrazin-2-amine
CID 106419182
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
8-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 114187084
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
5-bromo-6-chloro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106421690
3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
CID 103634007
1-methyl-N-(1,2-oxazol-5-ylmethyl)imidazol-2-amine
CID 106418901

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine (CID 106424136) is 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine is Nc1nccnc1NCc1ccno1.
What is the InChIKey of 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is OIAWVJQFVLZTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-7-8(11-4-3-10-7)12-5-6-1-2-13-14-6/h1-4H,5H2,(H2,9,10)(H,11,12).
What are the key properties of 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine?
3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 191.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 106424136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).