4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide

C16H22N6 — CID 110920726

IUPAC4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C16H22N6/c1-13-6-8-21(9-7-13)16(17)19-10-14-2-4-15(5-3-14)22-12-18-11-20-22/h2-5,11-13H,6-10H2,1H3,(H2,17,19)
InChIKeyMTVTWWKKOYRYLS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.81
Rot. Bonds3

About 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide

4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 110920726) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID110920726
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C16H22N6/c1-13-6-8-21(9-7-13)16(17)19-10-14-2-4-15(5-3-14)22-12-18-11-20-22/h2-5,11-13H,6-10H2,1H3,(H2,17,19)
InChIKeyMTVTWWKKOYRYLS-UHFFFAOYSA-N
XLogP1.81
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide 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

1-ethyl-3-(4-methylcyclohexyl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111256398
ethyl 4-[[N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111071805
1,1,3,3-tetramethyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111071801
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920712
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070
4-methyl-N'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 110026747
4-methyl-N'-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 120602708
1-(cyclopropylmethyl)-3-ethyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111867951
4-(4-chlorophenyl)-N'-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119147445
N'-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047033
1-cyclopentyl-3-ethyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110990290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide (CID 110920726) is 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccc(-n3cncn3)cc2)CC1.
What is the InChIKey of 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is MTVTWWKKOYRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-13-6-8-21(9-7-13)16(17)19-10-14-2-4-15(5-3-14)22-12-18-11-20-22/h2-5,11-13H,6-10H2,1H3,(H2,17,19).
What are the key properties of 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide?
4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 298.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110920726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).