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

C9H12N2 — CID 5371957

IUPAC3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine
SMILESC/C=C/c1ncc(C)nc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+
InChIKeyNDDMVJXHROIJBV-SNAWJCMRSA-N
MW148.21 g/mol
LogP2.13
Rot. Bonds1

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

3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine (PubChem CID 5371957) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine
PubChem CID5371957
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine
SMILESC/C=C/c1ncc(C)nc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+
InChIKeyNDDMVJXHROIJBV-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 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine?
The IUPAC name of 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine (CID 5371957) is 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine.
What is the SMILES notation for 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine?
The canonical SMILES for 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine is C/C=C/c1ncc(C)nc1C.
What is the InChIKey of 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine?
The InChIKey is NDDMVJXHROIJBV-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-9-8(3)11-7(2)6-10-9/h4-6H,1-3H3/b5-4+.
What are the key properties of 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine?
3,5-dimethyl-2-[(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 3,5-dimethyl-2-[(E)-prop-1-enyl]pyrazine is sourced from PubChem (CID 5371957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).