methyl carbamate;1,3,5-triazine

C5H8N4O2 — CID 21253744

IUPACmethyl carbamate;1,3,5-triazine
SMILESCOC(N)=O.c1ncncn1
InChIInChI=1S/C3H3N3.C2H5NO2/c1-4-2-6-3-5-1;1-5-2(3)4/h1-3H;1H3,(H2,3,4)
InChIKeyAKHWGDKKYJJRJS-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.42
Rot. Bonds

About methyl carbamate;1,3,5-triazine

methyl carbamate;1,3,5-triazine (PubChem CID 21253744) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is methyl carbamate;1,3,5-triazine.

Molecular Properties

Compound Namemethyl carbamate;1,3,5-triazine
PubChem CID21253744
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Namemethyl carbamate;1,3,5-triazine
SMILESCOC(N)=O.c1ncncn1
InChIInChI=1S/C3H3N3.C2H5NO2/c1-4-2-6-3-5-1;1-5-2(3)4/h1-3H;1H3,(H2,3,4)
InChIKeyAKHWGDKKYJJRJS-UHFFFAOYSA-N
XLogP-0.42
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-1,3,5-triazin-2-amine
CID 14288
N-carboxy-N-sym-triazinyl-O-methylisourea
CID 129798727
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
Butyl carbamate;1,3,5-triazine
CID 21253743
Carbamic acid;1,3,5-triazine
CID 22075585
N-(methoxymethyl)-1,3,5-triazin-2-amine
CID 22912604
2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 22912606
Carbamic acid;1,3,5-triazine
CID 23297040
(4-Methoxy-1,3,5-triazin-2-yl)urea
CID 23310879
1,3,5-Triazin-2-yl carbamate
CID 53641296
1,3,5-triazin-2-yl N-methylcarbamate
CID 54003672
1,3,5-Triazine;urea
CID 69330981

Frequently Asked Questions

What is the IUPAC name of methyl carbamate;1,3,5-triazine?
The IUPAC name of methyl carbamate;1,3,5-triazine (CID 21253744) is methyl carbamate;1,3,5-triazine.
What is the SMILES notation for methyl carbamate;1,3,5-triazine?
The canonical SMILES for methyl carbamate;1,3,5-triazine is COC(N)=O.c1ncncn1.
What is the InChIKey of methyl carbamate;1,3,5-triazine?
The InChIKey is AKHWGDKKYJJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2H5NO2/c1-4-2-6-3-5-1;1-5-2(3)4/h1-3H;1H3,(H2,3,4).
What are the key properties of methyl carbamate;1,3,5-triazine?
methyl carbamate;1,3,5-triazine has a molecular weight of 156.15 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbamate;1,3,5-triazine is sourced from PubChem (CID 21253744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).