1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine

C23H30N6O — CID 110055784

IUPAC1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine
SMILESCCc1nc2n(n1)CC(N/C(=N/CCc1ccco1)NCCc1ccccc1)CC2
InChIInChI=1S/C23H30N6O/c1-2-21-27-22-11-10-19(17-29(22)28-21)26-23(25-15-13-20-9-6-16-30-20)24-14-12-18-7-4-3-5-8-18/h3-9,16,19H,2,10-15,17H2,1H3,(H2,24,25,26)
InChIKeyDOQMOBIRBDUQBD-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.77
Rot. Bonds8

About 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine (PubChem CID 110055784) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine
PubChem CID110055784
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine
SMILESCCc1nc2n(n1)CC(N/C(=N/CCc1ccco1)NCCc1ccccc1)CC2
InChIInChI=1S/C23H30N6O/c1-2-21-27-22-11-10-19(17-29(22)28-21)26-23(25-15-13-20-9-6-16-30-20)24-14-12-18-7-4-3-5-8-18/h3-9,16,19H,2,10-15,17H2,1H3,(H2,24,25,26)
InChIKeyDOQMOBIRBDUQBD-UHFFFAOYSA-N
XLogP2.77
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine with MolForge

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Related Compounds

2-butyl-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110055762
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 110055799
1-cyclopentyl-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110055820
2-(3-ethoxypropyl)-1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110055804
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110055815
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]guanidine
CID 110059354
2-butyl-1-[2-(furan-2-yl)ethyl]-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]guanidine
CID 110059352
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 110055850
1-[2-(furan-2-yl)ethyl]-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-propylguanidine;hydroiodide
CID 110055855
1-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-thiophen-2-ylethyl)guanidine
CID 110055584
2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059891
2-[2-(furan-2-yl)ethyl]-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-prop-2-enylguanidine;hydroiodide
CID 136701322

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine?
The IUPAC name of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine (CID 110055784) is 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine?
The canonical SMILES for 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine is CCc1nc2n(n1)CC(N/C(=N/CCc1ccco1)NCCc1ccccc1)CC2.
What is the InChIKey of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine?
The InChIKey is DOQMOBIRBDUQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-2-21-27-22-11-10-19(17-29(22)28-21)26-23(25-15-13-20-9-6-16-30-20)24-14-12-18-7-4-3-5-8-18/h3-9,16,19H,2,10-15,17H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine?
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine has a molecular weight of 406.53 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 110055784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).