[4-(carbamoylamino)-1,3,5-triazin-2-yl]urea

C5H7N7O2 — CID 68655116

IUPAC[4-(carbamoylamino)-1,3,5-triazin-2-yl]urea
SMILESNC(=O)Nc1ncnc(NC(N)=O)n1
InChIInChI=1S/C5H7N7O2/c6-2(13)10-4-8-1-9-5(12-4)11-3(7)14/h1H,(H6,6,7,8,9,10,11,12,13,14)
InChIKeyOOWRFRWNONNZBP-UHFFFAOYSA-N
MW197.16 g/mol
LogP-1.15
Rot. Bonds2

About [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea

[4-(carbamoylamino)-1,3,5-triazin-2-yl]urea (PubChem CID 68655116) has the molecular formula C5H7N7O2 and a molecular weight of 197.16 g/mol. Its IUPAC name is [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-(carbamoylamino)-1,3,5-triazin-2-yl]urea
PubChem CID68655116
Molecular FormulaC5H7N7O2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name[4-(carbamoylamino)-1,3,5-triazin-2-yl]urea
SMILESNC(=O)Nc1ncnc(NC(N)=O)n1
InChIInChI=1S/C5H7N7O2/c6-2(13)10-4-8-1-9-5(12-4)11-3(7)14/h1H,(H6,6,7,8,9,10,11,12,13,14)
InChIKeyOOWRFRWNONNZBP-UHFFFAOYSA-N
XLogP-1.15
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea (CID 68655116) is [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea is NC(=O)Nc1ncnc(NC(N)=O)n1.
What is the InChIKey of [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
The InChIKey is OOWRFRWNONNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7O2/c6-2(13)10-4-8-1-9-5(12-4)11-3(7)14/h1H,(H6,6,7,8,9,10,11,12,13,14).
What are the key properties of [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
[4-(carbamoylamino)-1,3,5-triazin-2-yl]urea has a molecular weight of 197.16 g/mol, XLogP of -1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(carbamoylamino)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 68655116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).