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

C5H14ClN9O — CID 6452344

IUPACformaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC=O.Cl.Nc1nc(N)nc(N)n1.[H]N=C(N)N
InChIInChI=1S/C3H6N6.CH5N3.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);(H5,2,3,4);1H2;1H
InChIKeyMRCGLPFMSKSYNJ-UHFFFAOYSA-N
MW251.68 g/mol
LogP-2.31
Rot. Bonds

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

formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 6452344) has the molecular formula C5H14ClN9O and a molecular weight of 251.68 g/mol. Its IUPAC name is formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Nameformaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID6452344
Molecular FormulaC5H14ClN9O
Molecular Weight251.68 g/mol
Exact Mass251.10
IUPAC Nameformaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC=O.Cl.Nc1nc(N)nc(N)n1.[H]N=C(N)N
InChIInChI=1S/C3H6N6.CH5N3.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);(H5,2,3,4);1H2;1H
InChIKeyMRCGLPFMSKSYNJ-UHFFFAOYSA-N
XLogP-2.31
TPSA209.69 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.68
LogP ≤ 5-2.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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;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
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
Azane;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 18398511
Formaldehyde;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 18689247

Frequently Asked Questions

What is the IUPAC name of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 6452344) is formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride is C=O.Cl.Nc1nc(N)nc(N)n1.[H]N=C(N)N.
What is the InChIKey of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is MRCGLPFMSKSYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH5N3.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);(H5,2,3,4);1H2;1H.
What are the key properties of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride?
formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of -2.31, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 6452344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).