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

C14H19N3O2 — CID 118266875

IUPACN-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C14H19N3O2/c1-5-6-17(4)9-12-10(2)16-13(11(3)15-12)14-18-7-8-19-14/h1,14H,6-9H2,2-4H3
InChIKeyQZDFSSDPECHYRM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds4

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

N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine (PubChem CID 118266875) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine
PubChem CID118266875
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1nc(C)c(C2OCCO2)nc1C
InChIInChI=1S/C14H19N3O2/c1-5-6-17(4)9-12-10(2)16-13(11(3)15-12)14-18-7-8-19-14/h1,14H,6-9H2,2-4H3
InChIKeyQZDFSSDPECHYRM-UHFFFAOYSA-N
XLogP1.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
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-methylprop-2-yn-1-amine?
The IUPAC name of N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine (CID 118266875) is N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine is C#CCN(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-methylprop-2-yn-1-amine?
The InChIKey is QZDFSSDPECHYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-6-17(4)9-12-10(2)16-13(11(3)15-12)14-18-7-8-19-14/h1,14H,6-9H2,2-4H3.
What are the key properties of N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine?
N-[[5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazin-2-yl]methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 261.32 g/mol, XLogP of 1.20, 4 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-methylprop-2-yn-1-amine is sourced from PubChem (CID 118266875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).