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

C7H16N12O2 — CID 158227943

IUPAC2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.N#CN=C(N)N.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4N4.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;3-1-6-2(4)5;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H4,4,5,6);(H4,2,3,4);1H2
InChIKeyGEAMWQMRRFDBBP-UHFFFAOYSA-N
MW300.29 g/mol
LogP-3.80
Rot. Bonds

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

2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 158227943) has the molecular formula C7H16N12O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Name2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID158227943
Molecular FormulaC7H16N12O2
Molecular Weight300.29 g/mol
Exact Mass300.15
IUPAC Name2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.N#CN=C(N)N.NC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4N4.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;3-1-6-2(4)5;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H4,4,5,6);(H4,2,3,4);1H2
InChIKeyGEAMWQMRRFDBBP-UHFFFAOYSA-N
XLogP-3.80
TPSA291.10 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.29
LogP ≤ 5-3.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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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;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
CID 6454242
Formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride
CID 6455262
Melamine formamide
CID 23023290
Azane;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 18398511
Formaldehyde;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 18689247
Ethene;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 19088980

Frequently Asked Questions

What is the IUPAC name of 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea (CID 158227943) is 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea is C=O.N#CN=C(N)N.NC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is GEAMWQMRRFDBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4N4.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;3-1-6-2(4)5;2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H4,4,5,6);(H4,2,3,4);1H2.
What are the key properties of 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea?
2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 300.29 g/mol, XLogP of -3.80, 0 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 158227943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).