(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine

C17H29N3 — CID 143866475

IUPAC(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine
SMILESC/C=C/CC1=CCN=C2CN(CC)CCN12.C/C=C\C
InChIInChI=1S/C13H21N3.C4H8/c1-3-5-6-12-7-8-14-13-11-15(4-2)9-10-16(12)13;1-3-4-2/h3,5,7H,4,6,8-11H2,1-2H3;3-4H,1-2H3/b5-3+;4-3-
InChIKeySQQBECCZQAKYFO-OPVYEPOASA-N
MW275.44 g/mol
LogP3.47
Rot. Bonds3

About (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine

(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine (PubChem CID 143866475) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine
PubChem CID143866475
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine
SMILESC/C=C/CC1=CCN=C2CN(CC)CCN12.C/C=C\C
InChIInChI=1S/C13H21N3.C4H8/c1-3-5-6-12-7-8-14-13-11-15(4-2)9-10-16(12)13;1-3-4-2/h3,5,7H,4,6,8-11H2,1-2H3;3-4H,1-2H3/b5-3+;4-3-
InChIKeySQQBECCZQAKYFO-OPVYEPOASA-N
XLogP3.47
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine?
The IUPAC name of (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine (CID 143866475) is (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine.
What is the SMILES notation for (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine?
The canonical SMILES for (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine is C/C=C/CC1=CCN=C2CN(CC)CCN12.C/C=C\C.
What is the InChIKey of (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine?
The InChIKey is SQQBECCZQAKYFO-OPVYEPOASA-N. The full InChI is InChI=1S/C13H21N3.C4H8/c1-3-5-6-12-7-8-14-13-11-15(4-2)9-10-16(12)13;1-3-4-2/h3,5,7H,4,6,8-11H2,1-2H3;3-4H,1-2H3/b5-3+;4-3-.
What are the key properties of (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine?
(Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine has a molecular weight of 275.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;4-[(E)-but-2-enyl]-8-ethyl-2,6,7,9-tetrahydropyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 143866475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).