N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine

C9H13N3 — CID 166460747

IUPACN,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine
SMILESC=C(C)n1cc(C)nc/c1=N\C
InChIInChI=1S/C9H13N3/c1-7(2)12-6-8(3)11-5-9(12)10-4/h5-6H,1H2,2-4H3/b10-9+
InChIKeyLYYZWYUYNAHXGM-MDZDMXLPSA-N
MW163.22 g/mol
LogP1.21
Rot. Bonds1

About N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine

N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine (PubChem CID 166460747) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine
PubChem CID166460747
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine
SMILESC=C(C)n1cc(C)nc/c1=N\C
InChIInChI=1S/C9H13N3/c1-7(2)12-6-8(3)11-5-9(12)10-4/h5-6H,1H2,2-4H3/b10-9+
InChIKeyLYYZWYUYNAHXGM-MDZDMXLPSA-N
XLogP1.21
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine?
The IUPAC name of N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine (CID 166460747) is N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine.
What is the SMILES notation for N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine?
The canonical SMILES for N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine is C=C(C)n1cc(C)nc/c1=N\C.
What is the InChIKey of N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine?
The InChIKey is LYYZWYUYNAHXGM-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)12-6-8(3)11-5-9(12)10-4/h5-6H,1H2,2-4H3/b10-9+.
What are the key properties of N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine?
N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine has a molecular weight of 163.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-prop-1-en-2-ylpyrazin-2-imine is sourced from PubChem (CID 166460747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).