N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine

C16H19N3O2 — CID 118266877

IUPACN-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
SMILESC#CCN(CC#C)Cc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C16H19N3O2/c1-5-7-19(8-6-2)11-14-12(3)18-15(13(4)17-14)16-20-9-10-21-16/h1-2,16H,7-11H2,3-4H3
InChIKeyINBOHZVPHXCXJD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.21
Rot. Bonds5

About N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine

N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine (PubChem CID 118266877) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
PubChem CID118266877
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine
SMILESC#CCN(CC#C)Cc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C16H19N3O2/c1-5-7-19(8-6-2)11-14-12(3)18-15(13(4)17-14)16-20-9-10-21-16/h1-2,16H,7-11H2,3-4H3
InChIKeyINBOHZVPHXCXJD-UHFFFAOYSA-N
XLogP1.21
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
The IUPAC name of N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine (CID 118266877) is N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine.
What is the SMILES notation for N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
The canonical SMILES for N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine is C#CCN(CC#C)Cc1nc(C)c(C2OCCO2)nc1C.
What is the InChIKey of N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
The InChIKey is INBOHZVPHXCXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-5-7-19(8-6-2)11-14-12(3)18-15(13(4)17-14)16-20-9-10-21-16/h1-2,16H,7-11H2,3-4H3.
What are the key properties of N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine?
N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine has a molecular weight of 285.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-prop-2-ynylprop-2-yn-1-amine is sourced from PubChem (CID 118266877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).