8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine

C9H9N7O — CID 106411978

IUPAC8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(NCc2ncon2)n1
InChIInChI=1S/C9H9N7O/c10-6-4-16-2-1-11-9(16)8(14-6)12-3-7-13-5-17-15-7/h1-2,4-5H,3,10H2,(H,12,14)
InChIKeyPBRZWJFVUSGWIY-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.31
Rot. Bonds3

About 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine

8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 106411978) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID106411978
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESNc1cn2ccnc2c(NCc2ncon2)n1
InChIInChI=1S/C9H9N7O/c10-6-4-16-2-1-11-9(16)8(14-6)12-3-7-13-5-17-15-7/h1-2,4-5H,3,10H2,(H,12,14)
InChIKeyPBRZWJFVUSGWIY-UHFFFAOYSA-N
XLogP0.31
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 114187084
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829250
8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80836363
8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 114702239
8-N-[(6-methoxy-3-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80831802
8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80854414
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylpropanamide
CID 80814263
6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 81173934
8-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113476564
5-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]pentanamide
CID 106241738

Frequently Asked Questions

What is the IUPAC name of 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 106411978) is 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine is Nc1cn2ccnc2c(NCc2ncon2)n1.
What is the InChIKey of 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is PBRZWJFVUSGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c10-6-4-16-2-1-11-9(16)8(14-6)12-3-7-13-5-17-15-7/h1-2,4-5H,3,10H2,(H,12,14).
What are the key properties of 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 231.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 106411978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).