(1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone

C15H25N5O — CID 123983373

IUPAC(1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone
SMILESCCC=C(C)n1cnc(C(=O)N2CCNC(CCC)C2)n1
InChIInChI=1S/C15H25N5O/c1-4-6-12(3)20-11-17-14(18-20)15(21)19-9-8-16-13(10-19)7-5-2/h6,11,13,16H,4-5,7-10H2,1-3H3
InChIKeySNWBYSGPPLBAEW-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.76
Rot. Bonds5

About (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone

(1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone (PubChem CID 123983373) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone
PubChem CID123983373
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone
SMILESCCC=C(C)n1cnc(C(=O)N2CCNC(CCC)C2)n1
InChIInChI=1S/C15H25N5O/c1-4-6-12(3)20-11-17-14(18-20)15(21)19-9-8-16-13(10-19)7-5-2/h6,11,13,16H,4-5,7-10H2,1-3H3
InChIKeySNWBYSGPPLBAEW-UHFFFAOYSA-N
XLogP1.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone?
The IUPAC name of (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone (CID 123983373) is (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone?
The canonical SMILES for (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone is CCC=C(C)n1cnc(C(=O)N2CCNC(CCC)C2)n1.
What is the InChIKey of (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone?
The InChIKey is SNWBYSGPPLBAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-6-12(3)20-11-17-14(18-20)15(21)19-9-8-16-13(10-19)7-5-2/h6,11,13,16H,4-5,7-10H2,1-3H3.
What are the key properties of (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone?
(1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pent-2-en-2-yl-1,2,4-triazol-3-yl)-(3-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 123983373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).