1-methylideneguanidine;hydrate

C2H7N3O — CID 173023298

IUPAC1-methylideneguanidine;hydrate
SMILESO.[H]/N=C(\N)N=C
InChIInChI=1S/C2H5N3.H2O/c1-5-2(3)4;/h1H2,(H3,3,4);1H2
InChIKeyNZABAZSIOODNGD-UHFFFAOYSA-N
MW89.10 g/mol
LogP-1.24
Rot. Bonds

About 1-methylideneguanidine;hydrate

1-methylideneguanidine;hydrate (PubChem CID 173023298) has the molecular formula C2H7N3O and a molecular weight of 89.10 g/mol. Its IUPAC name is 1-methylideneguanidine;hydrate.

Molecular Properties

Compound Name1-methylideneguanidine;hydrate
PubChem CID173023298
Molecular FormulaC2H7N3O
Molecular Weight89.10 g/mol
Exact Mass89.06
IUPAC Name1-methylideneguanidine;hydrate
SMILESO.[H]/N=C(\N)N=C
InChIInChI=1S/C2H5N3.H2O/c1-5-2(3)4;/h1H2,(H3,3,4);1H2
InChIKeyNZABAZSIOODNGD-UHFFFAOYSA-N
XLogP-1.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.10
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

azane;1-methylideneguanidine;hydrochloride
CID 174872522
N'-carbamimidoylethanimidamide
CID 20603119
3-amino-2-iodo-N-methylideneprop-2-enimidamide
CID 153028028
carbamimidoyl fluoride;λ2-plumbane
CID 175191014
phosphanylmethanimidamide;hydrate
CID 174901910
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
ethanimidamide;hydrate;hydrochloride
CID 160733537
1-butan-2-ylideneguanidine
CID 161053722
1-imidazol-2-ylideneguanidine
CID 91130871
1,1-bis(ethenyl)guanidine
CID 174821814
ethanediimidamide;trihydrochloride
CID 139639987
alumanylmethanimidamide
CID 174565420

Frequently Asked Questions

What is the IUPAC name of 1-methylideneguanidine;hydrate?
The IUPAC name of 1-methylideneguanidine;hydrate (CID 173023298) is 1-methylideneguanidine;hydrate.
What is the SMILES notation for 1-methylideneguanidine;hydrate?
The canonical SMILES for 1-methylideneguanidine;hydrate is O.[H]/N=C(\N)N=C.
What is the InChIKey of 1-methylideneguanidine;hydrate?
The InChIKey is NZABAZSIOODNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3.H2O/c1-5-2(3)4;/h1H2,(H3,3,4);1H2.
What are the key properties of 1-methylideneguanidine;hydrate?
1-methylideneguanidine;hydrate has a molecular weight of 89.10 g/mol, XLogP of -1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylideneguanidine;hydrate is sourced from PubChem (CID 173023298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).