(4-methyl-1,3,5-triazin-2-yl)urea

C5H7N5O — CID 23030699

IUPAC(4-methyl-1,3,5-triazin-2-yl)urea
SMILESCc1ncnc(NC(N)=O)n1
InChIInChI=1S/C5H7N5O/c1-3-7-2-8-5(9-3)10-4(6)11/h2H,1H3,(H3,6,7,8,9,10,11)
InChIKeyJPIZNKHYAACWGL-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.33
Rot. Bonds1

About (4-methyl-1,3,5-triazin-2-yl)urea

(4-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 23030699) has the molecular formula C5H7N5O and a molecular weight of 153.14 g/mol. Its IUPAC name is (4-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name(4-methyl-1,3,5-triazin-2-yl)urea
PubChem CID23030699
Molecular FormulaC5H7N5O
Molecular Weight153.14 g/mol
Exact Mass153.07
IUPAC Name(4-methyl-1,3,5-triazin-2-yl)urea
SMILESCc1ncnc(NC(N)=O)n1
InChIInChI=1S/C5H7N5O/c1-3-7-2-8-5(9-3)10-4(6)11/h2H,1H3,(H3,6,7,8,9,10,11)
InChIKeyJPIZNKHYAACWGL-UHFFFAOYSA-N
XLogP-0.33
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of (4-methyl-1,3,5-triazin-2-yl)urea (CID 23030699) is (4-methyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for (4-methyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for (4-methyl-1,3,5-triazin-2-yl)urea is Cc1ncnc(NC(N)=O)n1.
What is the InChIKey of (4-methyl-1,3,5-triazin-2-yl)urea?
The InChIKey is JPIZNKHYAACWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c1-3-7-2-8-5(9-3)10-4(6)11/h2H,1H3,(H3,6,7,8,9,10,11).
What are the key properties of (4-methyl-1,3,5-triazin-2-yl)urea?
(4-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 153.14 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 23030699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).