5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C7H6ClN5O — CID 23736669

IUPAC5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC=CCNc1nc2nonc2nc1Cl
InChIInChI=1S/C7H6ClN5O/c1-2-3-9-5-4(8)10-6-7(11-5)13-14-12-6/h2H,1,3H2,(H,9,11,13)
InChIKeyAMRYUMBRWYMXGG-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 23736669) has the molecular formula C7H6ClN5O and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID23736669
Molecular FormulaC7H6ClN5O
Molecular Weight211.61 g/mol
Exact Mass211.03
IUPAC Name5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC=CCNc1nc2nonc2nc1Cl
InChIInChI=1S/C7H6ClN5O/c1-2-3-9-5-4(8)10-6-7(11-5)13-14-12-6/h2H,1,3H2,(H,9,11,13)
InChIKeyAMRYUMBRWYMXGG-UHFFFAOYSA-N
XLogP1.26
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 29088836
3-chloro-N-prop-2-enylquinoxalin-2-amine
CID 10775263
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 82459135
5-chloro-N,3-bis(prop-2-enyl)triazolo[4,5-d]pyrimidin-7-amine
CID 10824613
6-chloro-4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine
CID 87329948
2-chloro-N,9-bis(prop-2-enyl)purin-6-amine
CID 10490871
6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
CID 139420056
4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
CID 69476045
4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine
CID 58269933
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146200467

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 23736669) is 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is C=CCNc1nc2nonc2nc1Cl.
What is the InChIKey of 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is AMRYUMBRWYMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5O/c1-2-3-9-5-4(8)10-6-7(11-5)13-14-12-6/h2H,1,3H2,(H,9,11,13).
What are the key properties of 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 211.61 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 23736669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).