1,2-diamino-1-methylguanidine

C2H9N5 — CID 5476234

IUPAC1,2-diamino-1-methylguanidine
SMILESCN(N)/C(N)=N\N
InChIInChI=1S/C2H9N5/c1-7(5)2(3)6-4/h4-5H2,1H3,(H2,3,6)
InChIKeyNKFKICXFNZBQPD-UHFFFAOYSA-N
MW103.13 g/mol
LogP-2.02
Rot. Bonds

About 1,2-diamino-1-methylguanidine

1,2-diamino-1-methylguanidine (PubChem CID 5476234) has the molecular formula C2H9N5 and a molecular weight of 103.13 g/mol. Its IUPAC name is 1,2-diamino-1-methylguanidine.

Molecular Properties

Compound Name1,2-diamino-1-methylguanidine
PubChem CID5476234
Molecular FormulaC2H9N5
Molecular Weight103.13 g/mol
Exact Mass103.09
IUPAC Name1,2-diamino-1-methylguanidine
SMILESCN(N)/C(N)=N\N
InChIInChI=1S/C2H9N5/c1-7(5)2(3)6-4/h4-5H2,1H3,(H2,3,6)
InChIKeyNKFKICXFNZBQPD-UHFFFAOYSA-N
XLogP-2.02
TPSA93.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.13
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-1-methylguanidine?
The IUPAC name of 1,2-diamino-1-methylguanidine (CID 5476234) is 1,2-diamino-1-methylguanidine.
What is the SMILES notation for 1,2-diamino-1-methylguanidine?
The canonical SMILES for 1,2-diamino-1-methylguanidine is CN(N)/C(N)=N\N.
What is the InChIKey of 1,2-diamino-1-methylguanidine?
The InChIKey is NKFKICXFNZBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N5/c1-7(5)2(3)6-4/h4-5H2,1H3,(H2,3,6).
What are the key properties of 1,2-diamino-1-methylguanidine?
1,2-diamino-1-methylguanidine has a molecular weight of 103.13 g/mol, XLogP of -2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-1-methylguanidine is sourced from PubChem (CID 5476234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).