1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide

C13H18IN7 — CID 120770597

IUPAC1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCc1nnnn1-c1ccccc1)NC1CC1
InChIInChI=1S/C13H17N7.HI/c14-13(16-10-6-7-10)15-9-8-12-17-18-19-20(12)11-4-2-1-3-5-11;/h1-5,10H,6-9H2,(H3,14,15,16);1H
InChIKeyCOTTZDBLYNNWBF-UHFFFAOYSA-N
MW399.24 g/mol
LogP0.89
Rot. Bonds5

About 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide

1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide (PubChem CID 120770597) has the molecular formula C13H18IN7 and a molecular weight of 399.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide
PubChem CID120770597
Molecular FormulaC13H18IN7
Molecular Weight399.24 g/mol
Exact Mass399.07
IUPAC Name1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCc1nnnn1-c1ccccc1)NC1CC1
InChIInChI=1S/C13H17N7.HI/c14-13(16-10-6-7-10)15-9-8-12-17-18-19-20(12)11-4-2-1-3-5-11;/h1-5,10H,6-9H2,(H3,14,15,16);1H
InChIKeyCOTTZDBLYNNWBF-UHFFFAOYSA-N
XLogP0.89
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide (CID 120770597) is 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide is I.N/C(=N\CCc1nnnn1-c1ccccc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide?
The InChIKey is COTTZDBLYNNWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7.HI/c14-13(16-10-6-7-10)15-9-8-12-17-18-19-20(12)11-4-2-1-3-5-11;/h1-5,10H,6-9H2,(H3,14,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide?
1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide has a molecular weight of 399.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(1-phenyltetrazol-5-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 120770597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).