[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate

C18H24N4O2 — CID 118266848

IUPAC[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
SMILESC#CCN(CC#C)Cc1nc(C)c(COC(=O)N(C)CC)nc1C
InChIInChI=1S/C18H24N4O2/c1-7-10-22(11-8-2)12-16-14(4)20-17(15(5)19-16)13-24-18(23)21(6)9-3/h1-2H,9-13H2,3-6H3
InChIKeyRZEUKWZEGHNPLS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.75
Rot. Bonds7

About [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate

[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate (PubChem CID 118266848) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
PubChem CID118266848
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
SMILESC#CCN(CC#C)Cc1nc(C)c(COC(=O)N(C)CC)nc1C
InChIInChI=1S/C18H24N4O2/c1-7-10-22(11-8-2)12-16-14(4)20-17(15(5)19-16)13-24-18(23)21(6)9-3/h1-2H,9-13H2,3-6H3
InChIKeyRZEUKWZEGHNPLS-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.75
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 [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The IUPAC name of [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate (CID 118266848) is [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The canonical SMILES for [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate is C#CCN(CC#C)Cc1nc(C)c(COC(=O)N(C)CC)nc1C.
What is the InChIKey of [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The InChIKey is RZEUKWZEGHNPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-7-10-22(11-8-2)12-16-14(4)20-17(15(5)19-16)13-24-18(23)21(6)9-3/h1-2H,9-13H2,3-6H3.
What are the key properties of [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
[5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate has a molecular weight of 328.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[bis(prop-2-ynyl)amino]methyl]-3,6-dimethylpyrazin-2-yl]methyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 118266848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).