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

C9H14N4O2 — CID 69335036

IUPACmethyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate
SMILESCCCCN(C(=O)OC)c1ncncn1
InChIInChI=1S/C9H14N4O2/c1-3-4-5-13(9(14)15-2)8-11-6-10-7-12-8/h6-7H,3-5H2,1-2H3
InChIKeyJSMADCSURYAAFK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.24
Rot. Bonds4

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

methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate (PubChem CID 69335036) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate
PubChem CID69335036
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate
SMILESCCCCN(C(=O)OC)c1ncncn1
InChIInChI=1S/C9H14N4O2/c1-3-4-5-13(9(14)15-2)8-11-6-10-7-12-8/h6-7H,3-5H2,1-2H3
InChIKeyJSMADCSURYAAFK-UHFFFAOYSA-N
XLogP1.24
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate (CID 69335036) is methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate is CCCCN(C(=O)OC)c1ncncn1.
What is the InChIKey of methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate?
The InChIKey is JSMADCSURYAAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-4-5-13(9(14)15-2)8-11-6-10-7-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate?
methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate has a molecular weight of 210.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 69335036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).