1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

C13H19IN6 — CID 111049841

IUPAC1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCC(C)N/C(N)=N/Cc1ccnc(-n2cccn2)c1.I
InChIInChI=1S/C13H18N6.HI/c1-10(2)18-13(14)16-9-11-4-6-15-12(8-11)19-7-3-5-17-19;/h3-8,10H,9H2,1-2H3,(H3,14,16,18);1H
InChIKeyZYEYKVIOZSWEFR-UHFFFAOYSA-N
MW386.24 g/mol
LogP1.70
Rot. Bonds4

About 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide

1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111049841) has the molecular formula C13H19IN6 and a molecular weight of 386.24 g/mol. Its IUPAC name is 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111049841
Molecular FormulaC13H19IN6
Molecular Weight386.24 g/mol
Exact Mass386.07
IUPAC Name1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCC(C)N/C(N)=N/Cc1ccnc(-n2cccn2)c1.I
InChIInChI=1S/C13H18N6.HI/c1-10(2)18-13(14)16-9-11-4-6-15-12(8-11)19-7-3-5-17-19;/h3-8,10H,9H2,1-2H3,(H3,14,16,18);1H
InChIKeyZYEYKVIOZSWEFR-UHFFFAOYSA-N
XLogP1.70
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 51.70
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'}

Analyze 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide 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-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111049841) is 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is CC(C)N/C(N)=N/Cc1ccnc(-n2cccn2)c1.I.
What is the InChIKey of 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is ZYEYKVIOZSWEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6.HI/c1-10(2)18-13(14)16-9-11-4-6-15-12(8-11)19-7-3-5-17-19;/h3-8,10H,9H2,1-2H3,(H3,14,16,18);1H.
What are the key properties of 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide?
1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 386.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111049841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).