azane;1-methylideneguanidine;hydrochloride

C2H9ClN4 — CID 174872522

IUPACazane;1-methylideneguanidine;hydrochloride
SMILESCl.N.[H]/N=C(\N)N=C
InChIInChI=1S/C2H5N3.ClH.H3N/c1-5-2(3)4;;/h1H2,(H3,3,4);1H;1H3
InChIKeyWZOUOOLURXFRRU-UHFFFAOYSA-N
MW124.58 g/mol
LogP0.16
Rot. Bonds

About azane;1-methylideneguanidine;hydrochloride

azane;1-methylideneguanidine;hydrochloride (PubChem CID 174872522) has the molecular formula C2H9ClN4 and a molecular weight of 124.58 g/mol. Its IUPAC name is azane;1-methylideneguanidine;hydrochloride.

Molecular Properties

Compound Nameazane;1-methylideneguanidine;hydrochloride
PubChem CID174872522
Molecular FormulaC2H9ClN4
Molecular Weight124.58 g/mol
Exact Mass124.05
IUPAC Nameazane;1-methylideneguanidine;hydrochloride
SMILESCl.N.[H]/N=C(\N)N=C
InChIInChI=1S/C2H5N3.ClH.H3N/c1-5-2(3)4;;/h1H2,(H3,3,4);1H;1H3
InChIKeyWZOUOOLURXFRRU-UHFFFAOYSA-N
XLogP0.16
TPSA97.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.58
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1-methylideneguanidine;hydrochloride?
The IUPAC name of azane;1-methylideneguanidine;hydrochloride (CID 174872522) is azane;1-methylideneguanidine;hydrochloride.
What is the SMILES notation for azane;1-methylideneguanidine;hydrochloride?
The canonical SMILES for azane;1-methylideneguanidine;hydrochloride is Cl.N.[H]/N=C(\N)N=C.
What is the InChIKey of azane;1-methylideneguanidine;hydrochloride?
The InChIKey is WZOUOOLURXFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3.ClH.H3N/c1-5-2(3)4;;/h1H2,(H3,3,4);1H;1H3.
What are the key properties of azane;1-methylideneguanidine;hydrochloride?
azane;1-methylideneguanidine;hydrochloride has a molecular weight of 124.58 g/mol, XLogP of 0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methylideneguanidine;hydrochloride is sourced from PubChem (CID 174872522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).