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

C16H22N6O2 — CID 112940523

IUPACfuran-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
SMILESCC(C)CNc1nncc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-12(2)10-17-16-19-14(11-18-20-16)21-5-7-22(8-6-21)15(23)13-4-3-9-24-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,19,20)
InChIKeyKTBJIRIIGZBGLZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.49
Rot. Bonds5

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

furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone (PubChem CID 112940523) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
PubChem CID112940523
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Namefuran-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
SMILESCC(C)CNc1nncc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N6O2/c1-12(2)10-17-16-19-14(11-18-20-16)21-5-7-22(8-6-21)15(23)13-4-3-9-24-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,19,20)
InChIKeyKTBJIRIIGZBGLZ-UHFFFAOYSA-N
XLogP1.49
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

furan-2-yl-[4-[3-(3-phenylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone
CID 112957733
[4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112953780
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
[4-[3-(2,4-dimethylanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112957750
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151899
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(2-methylpropylamino)-3-pyridinyl]methanone
CID 109151822
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone (CID 112940523) is furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone is CC(C)CNc1nncc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone?
The InChIKey is KTBJIRIIGZBGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12(2)10-17-16-19-14(11-18-20-16)21-5-7-22(8-6-21)15(23)13-4-3-9-24-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,19,20).
What are the key properties of furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 112940523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).