1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine

C9H18N6 — CID 119118239

IUPAC1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCn1cncn1
InChIInChI=1S/C9H18N6/c1-3-14(4-2)9(10)12-5-6-15-8-11-7-13-15/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyCXIGZQZCTLHKAR-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.07
Rot. Bonds5

About 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine

1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine (PubChem CID 119118239) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
PubChem CID119118239
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
SMILESCCN(CC)/C(N)=N/CCn1cncn1
InChIInChI=1S/C9H18N6/c1-3-14(4-2)9(10)12-5-6-15-8-11-7-13-15/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyCXIGZQZCTLHKAR-UHFFFAOYSA-N
XLogP-0.07
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.07
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

2-[2-(3-cyano-1,2,4-triazol-1-yl)ethyl]-1,1-diethylguanidine
CID 120973357
2-[2-(3-cyano-1,2,4-triazol-1-yl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 120973356
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119151747
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
1,1-diethyl-2-[(4-iodo-1-methylpyrazol-3-yl)methyl]guanidine
CID 122097870
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119118251
N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide
CID 6285578
1-(2-ethylsulfanylethyl)-1,2,4-triazole
CID 115773467
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 62562960

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine (CID 119118239) is 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine is CCN(CC)/C(N)=N/CCn1cncn1.
What is the InChIKey of 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
The InChIKey is CXIGZQZCTLHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-3-14(4-2)9(10)12-5-6-15-8-11-7-13-15/h7-8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine?
1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine has a molecular weight of 210.28 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-(1,2,4-triazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 119118239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).