1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine

C9H18N6 — CID 122125579

IUPAC1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine
SMILESCCn1nc(C)c(CN/C(=N/C)NC)n1
InChIInChI=1S/C9H18N6/c1-5-15-13-7(2)8(14-15)6-12-9(10-3)11-4/h5-6H2,1-4H3,(H2,10,11,12)
InChIKeyHVVUMJWXHUOJJD-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.10
Rot. Bonds3

About 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine

1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine (PubChem CID 122125579) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine
PubChem CID122125579
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine
SMILESCCn1nc(C)c(CN/C(=N/C)NC)n1
InChIInChI=1S/C9H18N6/c1-5-15-13-7(2)8(14-15)6-12-9(10-3)11-4/h5-6H2,1-4H3,(H2,10,11,12)
InChIKeyHVVUMJWXHUOJJD-UHFFFAOYSA-N
XLogP-0.10
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine (CID 122125579) is 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine is CCn1nc(C)c(CN/C(=N/C)NC)n1.
What is the InChIKey of 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine?
The InChIKey is HVVUMJWXHUOJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-5-15-13-7(2)8(14-15)6-12-9(10-3)11-4/h5-6H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine?
1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine has a molecular weight of 210.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 122125579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).