anisole;guanidine

C8H13N3O — CID 172735542

IUPACanisole;guanidine
SMILESCOc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C7H8O.CH5N3/c1-8-7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H5,2,3,4)
InChIKeyIJNCNLAIGCMXBI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.53
Rot. Bonds1

About anisole;guanidine

anisole;guanidine (PubChem CID 172735542) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is anisole;guanidine.

Molecular Properties

Compound Nameanisole;guanidine
PubChem CID172735542
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Nameanisole;guanidine
SMILESCOc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C7H8O.CH5N3/c1-8-7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H5,2,3,4)
InChIKeyIJNCNLAIGCMXBI-UHFFFAOYSA-N
XLogP0.53
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze anisole;guanidine with MolForge

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

Launch Full Analysis

Related Compounds

anisole;propanamide
CID 159387798
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
anisole;argon;propane
CID 165043377
acetylene;anisole
CID 86033716
anisole;ethane;propan-2-one
CID 164986667
anisole;cyanic acid
CID 174663500
anisole;isocyanic acid
CID 175305824
anisole;2-oxoethyl carbamate
CID 174834133
anisole;butan-2-one
CID 67379528
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823

Frequently Asked Questions

What is the IUPAC name of anisole;guanidine?
The IUPAC name of anisole;guanidine (CID 172735542) is anisole;guanidine.
What is the SMILES notation for anisole;guanidine?
The canonical SMILES for anisole;guanidine is COc1ccccc1.[H]N=C(N)N.
What is the InChIKey of anisole;guanidine?
The InChIKey is IJNCNLAIGCMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH5N3/c1-8-7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3;(H5,2,3,4).
What are the key properties of anisole;guanidine?
anisole;guanidine has a molecular weight of 167.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;guanidine is sourced from PubChem (CID 172735542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).