butyl carbamate;1,3,5-triazine

C8H14N4O2 — CID 21253743

IUPACbutyl carbamate;1,3,5-triazine
SMILESCCCCOC(N)=O.c1ncncn1
InChIInChI=1S/C5H11NO2.C3H3N3/c1-2-3-4-8-5(6)7;1-4-2-6-3-5-1/h2-4H2,1H3,(H2,6,7);1-3H
InChIKeyJMNFQPJFIJIKGN-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.75
Rot. Bonds3

About butyl carbamate;1,3,5-triazine

butyl carbamate;1,3,5-triazine (PubChem CID 21253743) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is butyl carbamate;1,3,5-triazine.

Molecular Properties

Compound Namebutyl carbamate;1,3,5-triazine
PubChem CID21253743
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Namebutyl carbamate;1,3,5-triazine
SMILESCCCCOC(N)=O.c1ncncn1
InChIInChI=1S/C5H11NO2.C3H3N3/c1-2-3-4-8-5(6)7;1-4-2-6-3-5-1/h2-4H2,1H3,(H2,6,7);1-3H
InChIKeyJMNFQPJFIJIKGN-UHFFFAOYSA-N
XLogP0.75
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl carbamate;1,3,5-triazine?
The IUPAC name of butyl carbamate;1,3,5-triazine (CID 21253743) is butyl carbamate;1,3,5-triazine.
What is the SMILES notation for butyl carbamate;1,3,5-triazine?
The canonical SMILES for butyl carbamate;1,3,5-triazine is CCCCOC(N)=O.c1ncncn1.
What is the InChIKey of butyl carbamate;1,3,5-triazine?
The InChIKey is JMNFQPJFIJIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H3N3/c1-2-3-4-8-5(6)7;1-4-2-6-3-5-1/h2-4H2,1H3,(H2,6,7);1-3H.
What are the key properties of butyl carbamate;1,3,5-triazine?
butyl carbamate;1,3,5-triazine has a molecular weight of 198.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl carbamate;1,3,5-triazine is sourced from PubChem (CID 21253743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).