furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone

C17H24N6O2 — CID 112957796

IUPACfuran-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
SMILESCC(C)CCNc1cnnc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-13(2)5-6-18-15-12-19-21-17(20-15)23-9-7-22(8-10-23)16(24)14-4-3-11-25-14/h3-4,11-13H,5-10H2,1-2H3,(H,18,20,21)
InChIKeyMUVAPHWUMQHHIY-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.88
Rot. Bonds6

About furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone (PubChem CID 112957796) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
PubChem CID112957796
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Namefuran-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
SMILESCC(C)CCNc1cnnc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-13(2)5-6-18-15-12-19-21-17(20-15)23-9-7-22(8-10-23)16(24)14-4-3-11-25-14/h3-4,11-13H,5-10H2,1-2H3,(H,18,20,21)
InChIKeyMUVAPHWUMQHHIY-UHFFFAOYSA-N
XLogP1.88
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[5-(4-fluoroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957824
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
[4-[5-(2-chloroanilino)-1,2,4-triazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957825
furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
CID 112940523
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
3-[[3-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112957846
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
1-[4-[5-(propylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112938312
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 109139132

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone (CID 112957796) is furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone is CC(C)CCNc1cnnc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is MUVAPHWUMQHHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(2)5-6-18-15-12-19-21-17(20-15)23-9-7-22(8-10-23)16(24)14-4-3-11-25-14/h3-4,11-13H,5-10H2,1-2H3,(H,18,20,21).
What are the key properties of furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).