N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide

C15H22N8 — CID 119130932

IUPACN'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCCn1cncn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N8/c1-16-15(19-6-7-23-13-17-12-20-23)22-10-8-21(9-11-22)14-4-2-3-5-18-14/h2-5,12-13H,6-11H2,1H3,(H,16,19)
InChIKeyHMLSLTOAGGPTAB-UHFFFAOYSA-N
MW314.40 g/mol
LogP0.07
Rot. Bonds4

About N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide

N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 119130932) has the molecular formula C15H22N8 and a molecular weight of 314.40 g/mol. Its IUPAC name is N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
PubChem CID119130932
Molecular FormulaC15H22N8
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC NameN'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCCn1cncn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N8/c1-16-15(19-6-7-23-13-17-12-20-23)22-10-8-21(9-11-22)14-4-2-3-5-18-14/h2-5,12-13H,6-11H2,1H3,(H,16,19)
InChIKeyHMLSLTOAGGPTAB-UHFFFAOYSA-N
XLogP0.07
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221006
N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 119114636
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221607
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111512744
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119130984
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221717
N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 119115512
N'-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221062
N'-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220005

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide (CID 119130932) is N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide is C/N=C(\NCCn1cncn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is HMLSLTOAGGPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8/c1-16-15(19-6-7-23-13-17-12-20-23)22-10-8-21(9-11-22)14-4-2-3-5-18-14/h2-5,12-13H,6-11H2,1H3,(H,16,19).
What are the key properties of N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide?
N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 314.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119130932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).