1,3,5-triazin-2-ylurea

C4H5N5O — CID 19917709

IUPAC1,3,5-triazin-2-ylurea
SMILESNC(=O)Nc1ncncn1
InChIInChI=1S/C4H5N5O/c5-3(10)9-4-7-1-6-2-8-4/h1-2H,(H3,5,6,7,8,9,10)
InChIKeyGAFDMVVQTRXDFN-UHFFFAOYSA-N
MW139.12 g/mol
LogP-0.64
Rot. Bonds1

About 1,3,5-triazin-2-ylurea

1,3,5-triazin-2-ylurea (PubChem CID 19917709) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is 1,3,5-triazin-2-ylurea.

Molecular Properties

Compound Name1,3,5-triazin-2-ylurea
PubChem CID19917709
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC Name1,3,5-triazin-2-ylurea
SMILESNC(=O)Nc1ncncn1
InChIInChI=1S/C4H5N5O/c5-3(10)9-4-7-1-6-2-8-4/h1-2H,(H3,5,6,7,8,9,10)
InChIKeyGAFDMVVQTRXDFN-UHFFFAOYSA-N
XLogP-0.64
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Carbamoyl(sulfinato)amino]-1,3,5-triazine
CID 17888134
Thiocarbamate s-Triazine
CID 56995632
N-sym-triazinyl-N-cyanourea
CID 129798978
(4-Amino-1,3,5-triazin-2-yl)cyanamide
CID 13033500
Formaldehyde;1,3,5-triazin-2-amine
CID 18544388
Sulfonylurea;1,3,5-triazine
CID 19074086
2-Isocyanato-1,3,5-triazine
CID 19694713
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518
1-Sulfonyl-3-(1,3,5-triazin-2-yl)urea
CID 19777646
1,3,5-Triazin-2-ylcarbamic acid
CID 20077889
N-(1,3,5-triazin-2-ylcarbamoyl)sulfamoyl chloride
CID 20398790

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-ylurea?
The IUPAC name of 1,3,5-triazin-2-ylurea (CID 19917709) is 1,3,5-triazin-2-ylurea.
What is the SMILES notation for 1,3,5-triazin-2-ylurea?
The canonical SMILES for 1,3,5-triazin-2-ylurea is NC(=O)Nc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-ylurea?
The InChIKey is GAFDMVVQTRXDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c5-3(10)9-4-7-1-6-2-8-4/h1-2H,(H3,5,6,7,8,9,10).
What are the key properties of 1,3,5-triazin-2-ylurea?
1,3,5-triazin-2-ylurea has a molecular weight of 139.12 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-ylurea is sourced from PubChem (CID 19917709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).