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

C5H6N4O2 — CID 69335538

IUPACmethyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCN(C(=O)O)c1ncncn1
InChIInChI=1S/C5H6N4O2/c1-9(5(10)11)4-7-2-6-3-8-4/h2-3H,1H3,(H,10,11)
InChIKeyMZSDJHKPPPKRKL-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.01
Rot. Bonds1

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

methyl(1,3,5-triazin-2-yl)carbamic acid (PubChem CID 69335538) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is methyl(1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Namemethyl(1,3,5-triazin-2-yl)carbamic acid
PubChem CID69335538
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Namemethyl(1,3,5-triazin-2-yl)carbamic acid
SMILESCN(C(=O)O)c1ncncn1
InChIInChI=1S/C5H6N4O2/c1-9(5(10)11)4-7-2-6-3-8-4/h2-3H,1H3,(H,10,11)
InChIKeyMZSDJHKPPPKRKL-UHFFFAOYSA-N
XLogP-0.01
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid
CID 173271881
N-carboxy-N-sym-triazinyl-O-methylisourea
CID 129798727
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518
1,3,5-Triazin-2-ylcarbamic acid
CID 20077889
Carbamic acid;1,3,5-triazine
CID 22075585
N-methyl-N-(1,3,5-triazin-2-yl)formamide
CID 54024989
[4,6-Bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid
CID 68524798
Ethyl(1,3,5-triazin-2-yl)carbamic acid
CID 69334189
methyl N,N-dimethylcarbamate;1,3,5-triazine
CID 69378030
Carbonic acid;1,3,5-triazine
CID 159955056

Frequently Asked Questions

What is the IUPAC name of methyl(1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of methyl(1,3,5-triazin-2-yl)carbamic acid (CID 69335538) is methyl(1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for methyl(1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for methyl(1,3,5-triazin-2-yl)carbamic acid is CN(C(=O)O)c1ncncn1.
What is the InChIKey of methyl(1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is MZSDJHKPPPKRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-9(5(10)11)4-7-2-6-3-8-4/h2-3H,1H3,(H,10,11).
What are the key properties of methyl(1,3,5-triazin-2-yl)carbamic acid?
methyl(1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 154.13 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 69335538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).