1,3,5-triazine;urea

C6H15N9O3 — CID 69330981

IUPAC1,3,5-triazine;urea
SMILESNC(N)=O.NC(N)=O.NC(N)=O.c1ncncn1
InChIInChI=1S/C3H3N3.3CH4N2O/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*(H4,2,3,4)
InChIKeyZJSMMKQTPPXTIP-UHFFFAOYSA-N
MW261.25 g/mol
LogP-3.06
Rot. Bonds

About 1,3,5-triazine;urea

1,3,5-triazine;urea (PubChem CID 69330981) has the molecular formula C6H15N9O3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1,3,5-triazine;urea.

Molecular Properties

Compound Name1,3,5-triazine;urea
PubChem CID69330981
Molecular FormulaC6H15N9O3
Molecular Weight261.25 g/mol
Exact Mass261.13
IUPAC Name1,3,5-triazine;urea
SMILESNC(N)=O.NC(N)=O.NC(N)=O.c1ncncn1
InChIInChI=1S/C3H3N3.3CH4N2O/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*(H4,2,3,4)
InChIKeyZJSMMKQTPPXTIP-UHFFFAOYSA-N
XLogP-3.06
TPSA246.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.25
LogP ≤ 5-3.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Carbamoyl(sulfinato)amino]-1,3,5-triazine
CID 17888134
Ureido-s-triazine
CID 19917709
N-sym-triazinyl-N-cyanourea
CID 129798978
Formaldehyde;1,3,5-triazin-2-amine
CID 18544388
Sulfonylurea;1,3,5-triazine
CID 19074086
2-Isocyanato-1,3,5-triazine
CID 19694713
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518
Methyl carbamate;1,3,5-triazine
CID 21253744
2-(Sulfinatocarbamoylamino)-1,3,5-triazine
CID 21654698
2,4-Diisocyanato-1,3,5-triazine
CID 22062442
Carbamic acid;1,3,5-triazine
CID 22075585
Carbamic acid;1,3,5-triazine
CID 23297040

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine;urea?
The IUPAC name of 1,3,5-triazine;urea (CID 69330981) is 1,3,5-triazine;urea.
What is the SMILES notation for 1,3,5-triazine;urea?
The canonical SMILES for 1,3,5-triazine;urea is NC(N)=O.NC(N)=O.NC(N)=O.c1ncncn1.
What is the InChIKey of 1,3,5-triazine;urea?
The InChIKey is ZJSMMKQTPPXTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.3CH4N2O/c1-4-2-6-3-5-1;3*2-1(3)4/h1-3H;3*(H4,2,3,4).
What are the key properties of 1,3,5-triazine;urea?
1,3,5-triazine;urea has a molecular weight of 261.25 g/mol, XLogP of -3.06, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine;urea is sourced from PubChem (CID 69330981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).