2-(3-cyano-2-methylphenyl)guanidine

C9H10N4 — CID 174548760

IUPAC2-(3-cyano-2-methylphenyl)guanidine
SMILESCc1c(C#N)cccc1N=C(N)N
InChIInChI=1S/C9H10N4/c1-6-7(5-10)3-2-4-8(6)13-9(11)12/h2-4H,1H3,(H4,11,12,13)
InChIKeyRIRIMDCPQLGNDQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.77
Rot. Bonds1

About 2-(3-cyano-2-methylphenyl)guanidine

2-(3-cyano-2-methylphenyl)guanidine (PubChem CID 174548760) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(3-cyano-2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-cyano-2-methylphenyl)guanidine
PubChem CID174548760
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-(3-cyano-2-methylphenyl)guanidine
SMILESCc1c(C#N)cccc1N=C(N)N
InChIInChI=1S/C9H10N4/c1-6-7(5-10)3-2-4-8(6)13-9(11)12/h2-4H,1H3,(H4,11,12,13)
InChIKeyRIRIMDCPQLGNDQ-UHFFFAOYSA-N
XLogP0.77
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
2-(2-cyano-3-fluorophenyl)guanidine
CID 130567699
3-methanehydrazonoyl-2-methylbenzonitrile
CID 168529204
2-(2-chloro-3-methylphenyl)guanidine
CID 126455748
3-(aminomethyl)-2-methylbenzonitrile
CID 67666670
N-(2-cyanophenyl)benzenecarboximidoyl chloride
CID 13465821
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
(3-cyano-2-methylphenyl) ethaneperoxoate
CID 87802063
N'-amino-2-cyanobenzenecarboximidamide
CID 66986698
N'-(2,3-dimethylphenyl)carbamimidoyl fluoride
CID 163630481
3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
3-[(1S)-1-amino-2-cyanoethyl]-2-methylbenzonitrile
CID 130969797

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-methylphenyl)guanidine?
The IUPAC name of 2-(3-cyano-2-methylphenyl)guanidine (CID 174548760) is 2-(3-cyano-2-methylphenyl)guanidine.
What is the SMILES notation for 2-(3-cyano-2-methylphenyl)guanidine?
The canonical SMILES for 2-(3-cyano-2-methylphenyl)guanidine is Cc1c(C#N)cccc1N=C(N)N.
What is the InChIKey of 2-(3-cyano-2-methylphenyl)guanidine?
The InChIKey is RIRIMDCPQLGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-6-7(5-10)3-2-4-8(6)13-9(11)12/h2-4H,1H3,(H4,11,12,13).
What are the key properties of 2-(3-cyano-2-methylphenyl)guanidine?
2-(3-cyano-2-methylphenyl)guanidine has a molecular weight of 174.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-methylphenyl)guanidine is sourced from PubChem (CID 174548760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).