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

C5H7N5O — CID 19758518

IUPAC1-methyl-1-(1,3,5-triazin-2-yl)urea
SMILESCN(C(N)=O)c1ncncn1
InChIInChI=1S/C5H7N5O/c1-10(4(6)11)5-8-2-7-3-9-5/h2-3H,1H3,(H2,6,11)
InChIKeyPIOJLWLCDCBYCN-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.61
Rot. Bonds1

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

1-methyl-1-(1,3,5-triazin-2-yl)urea (PubChem CID 19758518) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-methyl-1-(1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1,3,5-triazin-2-yl)urea
PubChem CID19758518
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name1-methyl-1-(1,3,5-triazin-2-yl)urea
SMILESCN(C(N)=O)c1ncncn1
InChIInChI=1S/C5H7N5O/c1-10(4(6)11)5-8-2-7-3-9-5/h2-3H,1H3,(H2,6,11)
InChIKeyPIOJLWLCDCBYCN-UHFFFAOYSA-N
XLogP-0.61
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-methyl-1-(1,3,5-triazin-2-yl)urea (CID 19758518) is 1-methyl-1-(1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-methyl-1-(1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-methyl-1-(1,3,5-triazin-2-yl)urea is CN(C(N)=O)c1ncncn1.
What is the InChIKey of 1-methyl-1-(1,3,5-triazin-2-yl)urea?
The InChIKey is PIOJLWLCDCBYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c1-10(4(6)11)5-8-2-7-3-9-5/h2-3H,1H3,(H2,6,11).
What are the key properties of 1-methyl-1-(1,3,5-triazin-2-yl)urea?
1-methyl-1-(1,3,5-triazin-2-yl)urea has a molecular weight of 153.15 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 19758518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).