prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate

C15H18N6O6 — CID 12040687

IUPACprop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESC=CCOC(=O)Nc1nc(NC(=O)OCC=C)nc(NC(=O)OCC=C)n1
InChIInChI=1S/C15H18N6O6/c1-4-7-25-13(22)19-10-16-11(20-14(23)26-8-5-2)18-12(17-10)21-15(24)27-9-6-3/h4-6H,1-3,7-9H2,(H3,16,17,18,19,20,21,22,23,24)
InChIKeyBOPGQSBCHGRBQZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.08
Rot. Bonds9

About prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate

prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (PubChem CID 12040687) has the molecular formula C15H18N6O6 and a molecular weight of 378.35 g/mol. Its IUPAC name is prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
PubChem CID12040687
Molecular FormulaC15H18N6O6
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Nameprop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESC=CCOC(=O)Nc1nc(NC(=O)OCC=C)nc(NC(=O)OCC=C)n1
InChIInChI=1S/C15H18N6O6/c1-4-7-25-13(22)19-10-16-11(20-14(23)26-8-5-2)18-12(17-10)21-15(24)27-9-6-3/h4-6H,1-3,7-9H2,(H3,16,17,18,19,20,21,22,23,24)
InChIKeyBOPGQSBCHGRBQZ-UHFFFAOYSA-N
XLogP2.08
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803258
1,3,5-Triazinane-2,4,6-trione;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 23198959

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (CID 12040687) is prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is C=CCOC(=O)Nc1nc(NC(=O)OCC=C)nc(NC(=O)OCC=C)n1.
What is the InChIKey of prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is BOPGQSBCHGRBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O6/c1-4-7-25-13(22)19-10-16-11(20-14(23)26-8-5-2)18-12(17-10)21-15(24)27-9-6-3/h4-6H,1-3,7-9H2,(H3,16,17,18,19,20,21,22,23,24).
What are the key properties of prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 378.35 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4,6-bis(prop-2-enoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 12040687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).