N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide

C12H15N5O — CID 171656375

IUPACN-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide
SMILESCc1ccc(/C(N)=N/N=N/C2CC2)cc1NC=O
InChIInChI=1S/C12H15N5O/c1-8-2-3-9(6-11(8)14-7-18)12(13)16-17-15-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyWLXHTDJGLQDWGD-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.80
Rot. Bonds5

About N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide

N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide (PubChem CID 171656375) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide
PubChem CID171656375
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide
SMILESCc1ccc(/C(N)=N/N=N/C2CC2)cc1NC=O
InChIInChI=1S/C12H15N5O/c1-8-2-3-9(6-11(8)14-7-18)12(13)16-17-15-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyWLXHTDJGLQDWGD-UHFFFAOYSA-N
XLogP1.80
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide 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

N-(5-carbamothioyl-2-methylphenyl)formamide
CID 64991749
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
2-cyclohexyl-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]acetamide
CID 76935492
(E)-3-amino-2-(4-bromo-2-pyridinyl)-N-[2-chloro-5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]phenyl]prop-2-enamide
CID 171656236
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]-5-methyloxolane-2-carboxamide
CID 81326859
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 76935561
3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77045066
2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline
CID 59110370
3-(azepan-1-ylsulfonylamino)-4-methylbenzenecarbothioamide
CID 62105771
3-[(4,4-dimethylcyclohexyl)sulfonylamino]-4-methylbenzamide
CID 75448521
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4-iodobenzamide
CID 76935496

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide?
The IUPAC name of N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide (CID 171656375) is N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide.
What is the SMILES notation for N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide?
The canonical SMILES for N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide is Cc1ccc(/C(N)=N/N=N/C2CC2)cc1NC=O.
What is the InChIKey of N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide?
The InChIKey is WLXHTDJGLQDWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-2-3-9(6-11(8)14-7-18)12(13)16-17-15-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,14,18)(H2,13,15,16).
What are the key properties of N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide?
N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide has a molecular weight of 245.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-N'-(cyclopropyldiazenyl)carbamimidoyl]-2-methylphenyl]formamide is sourced from PubChem (CID 171656375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).