ethyl(1,3,5-triazin-2-yl)carbamic acid

C6H8N4O2 — CID 69334189

IUPACethyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCCN(C(=O)O)c1ncncn1
InChIInChI=1S/C6H8N4O2/c1-2-10(6(11)12)5-8-3-7-4-9-5/h3-4H,2H2,1H3,(H,11,12)
InChIKeyNWLVUTNZAUELDG-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.38
Rot. Bonds2

About ethyl(1,3,5-triazin-2-yl)carbamic acid

ethyl(1,3,5-triazin-2-yl)carbamic acid (PubChem CID 69334189) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is ethyl(1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Nameethyl(1,3,5-triazin-2-yl)carbamic acid
PubChem CID69334189
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Nameethyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCCN(C(=O)O)c1ncncn1
InChIInChI=1S/C6H8N4O2/c1-2-10(6(11)12)5-8-3-7-4-9-5/h3-4H,2H2,1H3,(H,11,12)
InChIKeyNWLVUTNZAUELDG-UHFFFAOYSA-N
XLogP0.38
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(Diethylamino)-6-fluoro-1,3,5-triazin-2-yl]-ethylcarbamic acid
CID 68122576
methyl N-butyl-N-(1,3,5-triazin-2-yl)carbamate
CID 69335036
Methyl(1,3,5-triazin-2-yl)carbamic acid
CID 69335538
Butyl(1,3,5-triazin-2-yl)carbamic acid
CID 69335576
Pentyl(1,3,5-triazin-2-yl)carbamic acid
CID 70438958
4-[4-(Dimethylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylic acid
CID 153727020
N-ethyl-N-(1,3,5-triazin-2-yl)acetamide
CID 154199126

Frequently Asked Questions

What is the IUPAC name of ethyl(1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of ethyl(1,3,5-triazin-2-yl)carbamic acid (CID 69334189) is ethyl(1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for ethyl(1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for ethyl(1,3,5-triazin-2-yl)carbamic acid is CCN(C(=O)O)c1ncncn1.
What is the InChIKey of ethyl(1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is NWLVUTNZAUELDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-2-10(6(11)12)5-8-3-7-4-9-5/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of ethyl(1,3,5-triazin-2-yl)carbamic acid?
ethyl(1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 168.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 69334189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).