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

C10H18N6 — CID 119114636

IUPACN'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1cncn1)N1CCCC1
InChIInChI=1S/C10H18N6/c1-11-10(15-5-2-3-6-15)13-4-7-16-9-12-8-14-16/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyGUOLRIANIKDKPU-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.05
Rot. Bonds3

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

N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 119114636) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID119114636
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC NameN'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCn1cncn1)N1CCCC1
InChIInChI=1S/C10H18N6/c1-11-10(15-5-2-3-6-15)13-4-7-16-9-12-8-14-16/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyGUOLRIANIKDKPU-UHFFFAOYSA-N
XLogP-0.05
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.05
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'}

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Related Compounds

N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 110934489
N'-methyl-4-pyridin-2-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
CID 119130932
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-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110934488
2-methyl-1-propan-2-yl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119129783
1-cyclopentyl-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119116708
1-cyclohexyl-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119115674
N-[3-(1,2,4-triazol-1-yl)propyl]azepane-1-carboxamide
CID 53498860
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465836
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 91779228
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide (CID 119114636) is N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCn1cncn1)N1CCCC1.
What is the InChIKey of N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is GUOLRIANIKDKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-11-10(15-5-2-3-6-15)13-4-7-16-9-12-8-14-16/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide?
N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 222.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119114636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).