[4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea

C5H8N8O2 — CID 13296074

IUPAC[4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea
SMILESNC(=O)Nc1nc(N)nc(NC(N)=O)n1
InChIInChI=1S/C5H8N8O2/c6-1-9-4(11-2(7)14)13-5(10-1)12-3(8)15/h(H8,6,7,8,9,10,11,12,13,14,15)
InChIKeyOJKKSSJFBVIYDB-UHFFFAOYSA-N
MW212.17 g/mol
LogP-1.57
Rot. Bonds2

About [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea

[4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea (PubChem CID 13296074) has the molecular formula C5H8N8O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea
PubChem CID13296074
Molecular FormulaC5H8N8O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name[4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea
SMILESNC(=O)Nc1nc(N)nc(NC(N)=O)n1
InChIInChI=1S/C5H8N8O2/c6-1-9-4(11-2(7)14)13-5(10-1)12-3(8)15/h(H8,6,7,8,9,10,11,12,13,14,15)
InChIKeyOJKKSSJFBVIYDB-UHFFFAOYSA-N
XLogP-1.57
TPSA174.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea with MolForge

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Related Compounds

Melamine cyanurate
CID 93198
Urea, polymer with formaldehyde and 1,3,5-triazine-2,4,6-triamine
CID 168250
(Diamino-1,3,5-triazin-2-yl)urea
CID 14438739
Melamine urea
CID 21896498
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
CID 6454242
Guanidinium cyanurate
CID 129712797
[4,6-Bis(carbamoylamino)-1,3,5-triazin-2-yl]urea
CID 13296072
Boric acid;1,3,5-triazine-2,4,6-triamine;urea
CID 18791860
Azane;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 20291609
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 20536165
(4,6-Dimethoxy-1,3,5-triazin-2-yl)urea
CID 21719995
2-N,2-N-diisocyanato-1,3,5-triazine-2,4,6-triamine
CID 53976416

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea (CID 13296074) is [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea is NC(=O)Nc1nc(N)nc(NC(N)=O)n1.
What is the InChIKey of [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
The InChIKey is OJKKSSJFBVIYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8O2/c6-1-9-4(11-2(7)14)13-5(10-1)12-3(8)15/h(H8,6,7,8,9,10,11,12,13,14,15).
What are the key properties of [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea?
[4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea has a molecular weight of 212.17 g/mol, XLogP of -1.57, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 13296074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).