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

C11H21IN6 — CID 122125616

IUPAC1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide
SMILESCCn1nc(C)c(CN/C(=N\C)NC2CC2)n1.I
InChIInChI=1S/C11H20N6.HI/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);1H
InChIKeySBDVLTBGFKDUJE-UHFFFAOYSA-N
MW364.24 g/mol
LogP1.05
Rot. Bonds4

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

1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 122125616) has the molecular formula C11H21IN6 and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide
PubChem CID122125616
Molecular FormulaC11H21IN6
Molecular Weight364.24 g/mol
Exact Mass364.09
IUPAC Name1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide
SMILESCCn1nc(C)c(CN/C(=N\C)NC2CC2)n1.I
InChIInChI=1S/C11H20N6.HI/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);1H
InChIKeySBDVLTBGFKDUJE-UHFFFAOYSA-N
XLogP1.05
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 51.05
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide (CID 122125616) is 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide is CCn1nc(C)c(CN/C(=N\C)NC2CC2)n1.I.
What is the InChIKey of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is SBDVLTBGFKDUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6.HI/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);1H.
What are the key properties of 1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide?
1-cyclopropyl-3-[(2-ethyl-5-methyltriazol-4-yl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 364.24 g/mol, XLogP of 1.05, 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;hydroiodide is sourced from PubChem (CID 122125616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).