1-(diaminomethylidene)guanidine

C2H7N5 — CID 5939

IUPAC1-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N)N=C(N)N
InChIInChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)
InChIKeyXNCOSPRUTUOJCJ-UHFFFAOYSA-N
MW101.11 g/mol
LogP-1.85
Rot. Bonds

About 1-(diaminomethylidene)guanidine

1-(diaminomethylidene)guanidine (PubChem CID 5939) has the molecular formula C2H7N5 and a molecular weight of 101.11 g/mol. Its IUPAC name is 1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)guanidine
PubChem CID5939
Molecular FormulaC2H7N5
Molecular Weight101.11 g/mol
Exact Mass101.07
IUPAC Name1-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N)N=C(N)N
InChIInChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)
InChIKeyXNCOSPRUTUOJCJ-UHFFFAOYSA-N
XLogP-1.85
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)guanidine?
The IUPAC name of 1-(diaminomethylidene)guanidine (CID 5939) is 1-(diaminomethylidene)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)guanidine?
The canonical SMILES for 1-(diaminomethylidene)guanidine is [H]/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)guanidine?
The InChIKey is XNCOSPRUTUOJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7).
What are the key properties of 1-(diaminomethylidene)guanidine?
1-(diaminomethylidene)guanidine has a molecular weight of 101.11 g/mol, XLogP of -1.85, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)guanidine is sourced from PubChem (CID 5939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).