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

C7H18N10O4 — CID 161440296

IUPACformaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.C=O.NC(N)=O.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.2CH4N2O.2CH2O/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4;2*1-2/h(H6,4,5,6,7,8,9);2*(H4,2,3,4);2*1H2
InChIKeyVZEJSLREJGUJMT-UHFFFAOYSA-N
MW306.29 g/mol
LogP-3.70
Rot. Bonds

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

formaldehyde;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 161440296) has the molecular formula C7H18N10O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is formaldehyde;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameformaldehyde;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID161440296
Molecular FormulaC7H18N10O4
Molecular Weight306.29 g/mol
Exact Mass306.15
IUPAC Nameformaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.C=O.NC(N)=O.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.2CH4N2O.2CH2O/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4;2*1-2/h(H6,4,5,6,7,8,9);2*(H4,2,3,4);2*1H2
InChIKeyVZEJSLREJGUJMT-UHFFFAOYSA-N
XLogP-3.70
TPSA289.09 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.29
LogP ≤ 5-3.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea (CID 161440296) is formaldehyde;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for formaldehyde;1,3,5-triazine-2,4,6-triamine;urea is C=O.C=O.NC(N)=O.NC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is VZEJSLREJGUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.2CH4N2O.2CH2O/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4;2*1-2/h(H6,4,5,6,7,8,9);2*(H4,2,3,4);2*1H2.
What are the key properties of formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
formaldehyde;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 306.29 g/mol, XLogP of -3.70, 0 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 161440296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).