1,3,5-triazin-2-yl N-methylcarbamate

C5H6N4O2 — CID 54003672

IUPAC1,3,5-triazin-2-yl N-methylcarbamate
SMILESCNC(=O)Oc1ncncn1
InChIInChI=1S/C5H6N4O2/c1-6-5(10)11-4-8-2-7-3-9-4/h2-3H,1H3,(H,6,10)
InChIKeyKNIZAQYYAWVPFS-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.41
Rot. Bonds1

About 1,3,5-triazin-2-yl N-methylcarbamate

1,3,5-triazin-2-yl N-methylcarbamate (PubChem CID 54003672) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 1,3,5-triazin-2-yl N-methylcarbamate.

Molecular Properties

Compound Name1,3,5-triazin-2-yl N-methylcarbamate
PubChem CID54003672
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name1,3,5-triazin-2-yl N-methylcarbamate
SMILESCNC(=O)Oc1ncncn1
InChIInChI=1S/C5H6N4O2/c1-6-5(10)11-4-8-2-7-3-9-4/h2-3H,1H3,(H,6,10)
InChIKeyKNIZAQYYAWVPFS-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
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-Methyl-3-(1,3,5-triazin-2-yl)urea
CID 59731135
2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 70225516
Azane;1,3,5-triazin-2-yl carbamate
CID 141190717
methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride
CID 142640056
1,3,5-triazin-2-yl N-ethylcarbamate
CID 174534413
N-(1,3,5-triazin-2-yl)carbamate
CID 20077888

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-yl N-methylcarbamate?
The IUPAC name of 1,3,5-triazin-2-yl N-methylcarbamate (CID 54003672) is 1,3,5-triazin-2-yl N-methylcarbamate.
What is the SMILES notation for 1,3,5-triazin-2-yl N-methylcarbamate?
The canonical SMILES for 1,3,5-triazin-2-yl N-methylcarbamate is CNC(=O)Oc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-yl N-methylcarbamate?
The InChIKey is KNIZAQYYAWVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-6-5(10)11-4-8-2-7-3-9-4/h2-3H,1H3,(H,6,10).
What are the key properties of 1,3,5-triazin-2-yl N-methylcarbamate?
1,3,5-triazin-2-yl N-methylcarbamate has a molecular weight of 154.13 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-yl N-methylcarbamate is sourced from PubChem (CID 54003672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).