formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride

C5H13ClN8O2 — CID 6454242

IUPACformaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
SMILESC=O.Cl.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH4N2O.CH2O.ClH/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2;/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H2;1H
InChIKeySUKZEIXUOFLLHY-UHFFFAOYSA-N
MW252.67 g/mol
LogP-2.12
Rot. Bonds

About formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride

formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride (PubChem CID 6454242) has the molecular formula C5H13ClN8O2 and a molecular weight of 252.67 g/mol. Its IUPAC name is formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride.

Molecular Properties

Compound Nameformaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
PubChem CID6454242
Molecular FormulaC5H13ClN8O2
Molecular Weight252.67 g/mol
Exact Mass252.08
IUPAC Nameformaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
SMILESC=O.Cl.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH4N2O.CH2O.ClH/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2;/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H2;1H
InChIKeySUKZEIXUOFLLHY-UHFFFAOYSA-N
XLogP-2.12
TPSA202.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

Melamine formaldehyde
CID 93374
Urea, polymer with formaldehyde and 1,3,5-triazine-2,4,6-triamine
CID 168250
2-Cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 168812
Formaldehyde;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 173855
Melamine urea
CID 21896498
Formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 6452344
Formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride
CID 6455262
Melamine formamide
CID 23023290
2-Cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158227943
Formaldehyde;tin(2+);1,3,5-triazine-2,4,6-triamine;dichloride
CID 44151111
[4,6-Bis(carbamoylamino)-1,3,5-triazin-2-yl]urea
CID 13296072
[4-Amino-6-(carbamoylamino)-1,3,5-triazin-2-yl]urea
CID 13296074

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride?
The IUPAC name of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride (CID 6454242) is formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride.
What is the SMILES notation for formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride?
The canonical SMILES for formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride is C=O.Cl.NC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride?
The InChIKey is SUKZEIXUOFLLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH4N2O.CH2O.ClH/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2;/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H2;1H.
What are the key properties of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride?
formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride has a molecular weight of 252.67 g/mol, XLogP of -2.12, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride is sourced from PubChem (CID 6454242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).