1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine

C9H13N3 — CID 170269200

IUPAC1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine
SMILES[H]/N=c1\c(C)nccn1/C(C)=C\C
InChIInChI=1S/C9H13N3/c1-4-7(2)12-6-5-11-8(3)9(12)10/h4-6,10H,1-3H3/b7-4-,10-9+
InChIKeyKFEVKXUNFIVALB-LCVFMAEPSA-N
MW163.22 g/mol
LogP1.55
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine

1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine (PubChem CID 170269200) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine
PubChem CID170269200
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine
SMILES[H]/N=c1\c(C)nccn1/C(C)=C\C
InChIInChI=1S/C9H13N3/c1-4-7(2)12-6-5-11-8(3)9(12)10/h4-6,10H,1-3H3/b7-4-,10-9+
InChIKeyKFEVKXUNFIVALB-LCVFMAEPSA-N
XLogP1.55
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine (CID 170269200) is 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine is [H]/N=c1\c(C)nccn1/C(C)=C\C.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine?
The InChIKey is KFEVKXUNFIVALB-LCVFMAEPSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-7(2)12-6-5-11-8(3)9(12)10/h4-6,10H,1-3H3/b7-4-,10-9+.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine?
1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine has a molecular weight of 163.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-3-methylpyrazin-2-imine is sourced from PubChem (CID 170269200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).