butyl N-(1,3,5-triazin-2-yl)carbamate

C8H12N4O2 — CID 15483777

IUPACbutyl N-(1,3,5-triazin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1ncncn1
InChIInChI=1S/C8H12N4O2/c1-2-3-4-14-8(13)12-7-10-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,9,10,11,12,13)
InChIKeyFUWGCRWYXAXGRO-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.22
Rot. Bonds4

About butyl N-(1,3,5-triazin-2-yl)carbamate

butyl N-(1,3,5-triazin-2-yl)carbamate (PubChem CID 15483777) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is butyl N-(1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1,3,5-triazin-2-yl)carbamate
PubChem CID15483777
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namebutyl N-(1,3,5-triazin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1ncncn1
InChIInChI=1S/C8H12N4O2/c1-2-3-4-14-8(13)12-7-10-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,9,10,11,12,13)
InChIKeyFUWGCRWYXAXGRO-UHFFFAOYSA-N
XLogP1.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.22
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 N-(1,3,5-triazin-2-yl)carbamate?
The IUPAC name of butyl N-(1,3,5-triazin-2-yl)carbamate (CID 15483777) is butyl N-(1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for butyl N-(1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for butyl N-(1,3,5-triazin-2-yl)carbamate is CCCCOC(=O)Nc1ncncn1.
What is the InChIKey of butyl N-(1,3,5-triazin-2-yl)carbamate?
The InChIKey is FUWGCRWYXAXGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-3-4-14-8(13)12-7-10-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,9,10,11,12,13).
What are the key properties of butyl N-(1,3,5-triazin-2-yl)carbamate?
butyl N-(1,3,5-triazin-2-yl)carbamate has a molecular weight of 196.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 15483777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).