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

C16H21N7 — CID 166103928

IUPAC2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine
SMILESC=C1C(=C)N(Cc2cnc(-n3nccn3)cn2)CCN1CCC
InChIInChI=1S/C16H21N7/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/h5-6,10-11H,2-4,7-9,12H2,1H3
InChIKeyOJKJMRHDDMCVHS-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.61
Rot. Bonds5

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

2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine (PubChem CID 166103928) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine.

Molecular Properties

Compound Name2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine
PubChem CID166103928
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine
SMILESC=C1C(=C)N(Cc2cnc(-n3nccn3)cn2)CCN1CCC
InChIInChI=1S/C16H21N7/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/h5-6,10-11H,2-4,7-9,12H2,1H3
InChIKeyOJKJMRHDDMCVHS-UHFFFAOYSA-N
XLogP1.61
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine?
The IUPAC name of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine (CID 166103928) is 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine.
What is the SMILES notation for 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine?
The canonical SMILES for 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine is 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?
The InChIKey is OJKJMRHDDMCVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/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/h5-6,10-11H,2-4,7-9,12H2,1H3.
What are the key properties of 2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine?
2-[(2,3-dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine has a molecular weight of 311.39 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 166103928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).