prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate

C9H12N4O4 — CID 12803258

IUPACprop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
SMILESC=CCOC(=O)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H12N4O4/c1-4-5-17-9(14)12-6-10-7(15-2)13-8(11-6)16-3/h4H,1,5H2,2-3H3,(H,10,11,12,13,14)
InChIKeyJJBHUKZEGMJALH-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.62
Rot. Bonds5

About prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate

prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate (PubChem CID 12803258) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
PubChem CID12803258
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Nameprop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
SMILESC=CCOC(=O)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H12N4O4/c1-4-5-17-9(14)12-6-10-7(15-2)13-8(11-6)16-3/h4H,1,5H2,2-3H3,(H,10,11,12,13,14)
InChIKeyJJBHUKZEGMJALH-UHFFFAOYSA-N
XLogP0.62
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] N-fluorosulfonylcarbamate
CID 179016580
[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl] N-difluorophosphorylcarbamate
CID 179016993
prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 12040687
1,3,5-Triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 23198959
4-Methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868111
4-Prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80868457
4-Ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868461

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate (CID 12803258) is prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate is C=CCOC(=O)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The InChIKey is JJBHUKZEGMJALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-4-5-17-9(14)12-6-10-7(15-2)13-8(11-6)16-3/h4H,1,5H2,2-3H3,(H,10,11,12,13,14).
What are the key properties of prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate has a molecular weight of 240.22 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 12803258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).