1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine

C11H20N6 — CID 122125617

IUPAC1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine
SMILESCCn1nc(C)c(CN/C(=N\C)NC2CC2)n1
InChIInChI=1S/C11H20N6/c1-4-17-15-8(2)10(16-17)7-13-11(12-3)14-9-5-6-9/h9H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyJCPDWWTWOBNPIH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.43
Rot. Bonds4

About 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine

1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine (PubChem CID 122125617) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine
PubChem CID122125617
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine
SMILESCCn1nc(C)c(CN/C(=N\C)NC2CC2)n1
InChIInChI=1S/C11H20N6/c1-4-17-15-8(2)10(16-17)7-13-11(12-3)14-9-5-6-9/h9H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyJCPDWWTWOBNPIH-UHFFFAOYSA-N
XLogP0.43
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.43
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-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine 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-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine (CID 122125617) is 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine is CCn1nc(C)c(CN/C(=N\C)NC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine?
The InChIKey is JCPDWWTWOBNPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-4-17-15-8(2)10(16-17)7-13-11(12-3)14-9-5-6-9/h9H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine?
1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine has a molecular weight of 236.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 122125617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).