2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine

C9H12N2 — CID 5371955

IUPAC2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine
SMILESC/C=C/c1nc(C)cnc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+
InChIKeyUPGLIDCBHZSEJE-SNAWJCMRSA-N
MW148.21 g/mol
LogP2.13
Rot. Bonds1

About 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine

2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine (PubChem CID 5371955) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine
PubChem CID5371955
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine
SMILESC/C=C/c1nc(C)cnc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+
InChIKeyUPGLIDCBHZSEJE-SNAWJCMRSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine (CID 5371955) is 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine is C/C=C/c1nc(C)cnc1C.
What is the InChIKey of 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine?
The InChIKey is UPGLIDCBHZSEJE-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+.
What are the key properties of 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine?
2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine has a molecular weight of 148.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(E)-prop-1-enyl]pyrazine is sourced from PubChem (CID 5371955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).