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

C5H6N4O2 — CID 19704296

IUPACmethyl N-(1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1ncncn1
InChIInChI=1S/C5H6N4O2/c1-11-5(10)9-4-7-2-6-3-8-4/h2-3H,1H3,(H,6,7,8,9,10)
InChIKeyUQNKOJYOVWTPRE-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.05
Rot. Bonds1

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

methyl N-(1,3,5-triazin-2-yl)carbamate (PubChem CID 19704296) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is methyl N-(1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,3,5-triazin-2-yl)carbamate
PubChem CID19704296
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Namemethyl N-(1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1ncncn1
InChIInChI=1S/C5H6N4O2/c1-11-5(10)9-4-7-2-6-3-8-4/h2-3H,1H3,(H,6,7,8,9,10)
InChIKeyUQNKOJYOVWTPRE-UHFFFAOYSA-N
XLogP0.05
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ureido-s-triazine
CID 19917709
N-carboxy-N-sym-triazinyl-O-methylisourea
CID 129798727
1,3,5-Triazin-2-ylcarbamic acid
CID 20077889
Methyl carbamate;1,3,5-triazine
CID 21253744
Carbamic acid;1,3,5-triazine
CID 22075585
(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
methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 59582238
6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione
CID 68634360
[4-(Carbamoylamino)-1,3,5-triazin-2-yl]urea
CID 68655116
ethyl N-(1,3,5-triazin-2-yl)carbamate
CID 69854850

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(1,3,5-triazin-2-yl)carbamate (CID 19704296) is methyl N-(1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(1,3,5-triazin-2-yl)carbamate is COC(=O)Nc1ncncn1.
What is the InChIKey of methyl N-(1,3,5-triazin-2-yl)carbamate?
The InChIKey is UQNKOJYOVWTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-11-5(10)9-4-7-2-6-3-8-4/h2-3H,1H3,(H,6,7,8,9,10).
What are the key properties of methyl N-(1,3,5-triazin-2-yl)carbamate?
methyl N-(1,3,5-triazin-2-yl)carbamate has a molecular weight of 154.13 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 19704296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).