phosphanylmethanimidamide;hydrate

CH7N2OP — CID 174901910

IUPACphosphanylmethanimidamide;hydrate
SMILESO.[H]/N=C(\N)P
InChIInChI=1S/CH5N2P.H2O/c2-1(3)4;/h4H2,(H3,2,3);1H2
InChIKeyBUXSNDGNLRYHFY-UHFFFAOYSA-N
MW94.05 g/mol
LogP-1.07
Rot. Bonds

About phosphanylmethanimidamide;hydrate

phosphanylmethanimidamide;hydrate (PubChem CID 174901910) has the molecular formula CH7N2OP and a molecular weight of 94.05 g/mol. Its IUPAC name is phosphanylmethanimidamide;hydrate.

Molecular Properties

Compound Namephosphanylmethanimidamide;hydrate
PubChem CID174901910
Molecular FormulaCH7N2OP
Molecular Weight94.05 g/mol
Exact Mass94.03
IUPAC Namephosphanylmethanimidamide;hydrate
SMILESO.[H]/N=C(\N)P
InChIInChI=1S/CH5N2P.H2O/c2-1(3)4;/h4H2,(H3,2,3);1H2
InChIKeyBUXSNDGNLRYHFY-UHFFFAOYSA-N
XLogP-1.07
TPSA81.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.05
LogP ≤ 5-1.07
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethanimidamide;hydrate;hydrochloride
CID 160733537
cyano carbamimidate
CID 57445531
alumanylmethanimidamide
CID 174565420
ethanediimidamide;trihydrochloride
CID 139639987
CID 174391315
CID 174391315
cobalt;ethanimidamide
CID 162055614
carbamimidoyl iodide;hydron
CID 174864753
carbamimidoyl fluoride;λ2-plumbane
CID 175191014
1-methylideneguanidine;hydrate
CID 173023298
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
calcium;carbamimidate;dichloride
CID 73456692
ethanimidamide;guanidine
CID 160661984

Frequently Asked Questions

What is the IUPAC name of phosphanylmethanimidamide;hydrate?
The IUPAC name of phosphanylmethanimidamide;hydrate (CID 174901910) is phosphanylmethanimidamide;hydrate.
What is the SMILES notation for phosphanylmethanimidamide;hydrate?
The canonical SMILES for phosphanylmethanimidamide;hydrate is O.[H]/N=C(\N)P.
What is the InChIKey of phosphanylmethanimidamide;hydrate?
The InChIKey is BUXSNDGNLRYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N2P.H2O/c2-1(3)4;/h4H2,(H3,2,3);1H2.
What are the key properties of phosphanylmethanimidamide;hydrate?
phosphanylmethanimidamide;hydrate has a molecular weight of 94.05 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanylmethanimidamide;hydrate is sourced from PubChem (CID 174901910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).