2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene

C18H25N7 — CID 166103927

IUPAC2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene
SMILESC=C.C=C1C(=C)N(Cc2cnc(-n3nccn3)cn2)CCN1CCC
InChIInChI=1S/C16H21N7.C2H4/c1-4-7-21-8-9-22(14(3)13(21)2)12-15-10-18-16(11-17-15)23-19-5-6-20-23;1-2/h5-6,10-11H,2-4,7-9,12H2,1H3;1-2H2
InChIKeyCVYFWNBGNPVLJK-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.41
Rot. Bonds5

About 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene

2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene (PubChem CID 166103927) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene.

Molecular Properties

Compound Name2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene
PubChem CID166103927
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene
SMILESC=C.C=C1C(=C)N(Cc2cnc(-n3nccn3)cn2)CCN1CCC
InChIInChI=1S/C16H21N7.C2H4/c1-4-7-21-8-9-22(14(3)13(21)2)12-15-10-18-16(11-17-15)23-19-5-6-20-23;1-2/h5-6,10-11H,2-4,7-9,12H2,1H3;1-2H2
InChIKeyCVYFWNBGNPVLJK-UHFFFAOYSA-N
XLogP2.41
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-(triazol-2-yl)pyrazine
CID 70234442
2,5-Dimethyl-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazine
CID 29208474
2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
CID 31161132
3-{4-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl}-2,5-dimethylpyrazine
CID 91835484
2,5-dimethyl-3-{4-[3-(4-methyl-1H-pyrazol-1-yl)propyl]piperazin-1-yl}pyrazine
CID 91843312
3-[4-[(1-Tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
CID 133470376
2-[4-[(1-Tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-6-methylpyrazine
CID 133470378
2-[(2,3-Dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine
CID 166103928

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene?
The IUPAC name of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene (CID 166103927) is 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene.
What is the SMILES notation for 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene?
The canonical SMILES for 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene is C=C.C=C1C(=C)N(Cc2cnc(-n3nccn3)cn2)CCN1CCC.
What is the InChIKey of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene?
The InChIKey is CVYFWNBGNPVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7.C2H4/c1-4-7-21-8-9-22(14(3)13(21)2)12-15-10-18-16(11-17-15)23-19-5-6-20-23;1-2/h5-6,10-11H,2-4,7-9,12H2,1H3;1-2H2.
What are the key properties of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene?
2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene has a molecular weight of 339.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene is sourced from PubChem (CID 166103927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).