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

C5H7ClN4O2 — CID 142640056

IUPACmethyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride
SMILESCOC(=O)Nc1ncncn1.Cl
InChIInChI=1S/C5H6N4O2.ClH/c1-11-5(10)9-4-7-2-6-3-8-4;/h2-3H,1H3,(H,6,7,8,9,10);1H
InChIKeyUPWHMZHKVDCSGV-UHFFFAOYSA-N
MW190.59 g/mol
LogP0.47
Rot. Bonds1

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

methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride (PubChem CID 142640056) has the molecular formula C5H7ClN4O2 and a molecular weight of 190.59 g/mol. Its IUPAC name is methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride
PubChem CID142640056
Molecular FormulaC5H7ClN4O2
Molecular Weight190.59 g/mol
Exact Mass190.03
IUPAC Namemethyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride
SMILESCOC(=O)Nc1ncncn1.Cl
InChIInChI=1S/C5H6N4O2.ClH/c1-11-5(10)9-4-7-2-6-3-8-4;/h2-3H,1H3,(H,6,7,8,9,10);1H
InChIKeyUPWHMZHKVDCSGV-UHFFFAOYSA-N
XLogP0.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl N-(1,3,5-triazin-2-yl)carbamate
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[4-(Carbamoylamino)-1,3,5-triazin-2-yl]urea
CID 68655116
ethyl N-(1,3,5-triazin-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride?
The IUPAC name of methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride (CID 142640056) is methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride.
What is the SMILES notation for methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride?
The canonical SMILES for methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride is COC(=O)Nc1ncncn1.Cl.
What is the InChIKey of methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride?
The InChIKey is UPWHMZHKVDCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2.ClH/c1-11-5(10)9-4-7-2-6-3-8-4;/h2-3H,1H3,(H,6,7,8,9,10);1H.
What are the key properties of methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride?
methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride has a molecular weight of 190.59 g/mol, XLogP of 0.47, 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;hydrochloride is sourced from PubChem (CID 142640056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).