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

C20H30N6O — CID 110055820

IUPAC1-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
SMILESCCc1nc2n(n1)CC(N/C(=N/CCc1ccco1)NC1CCCC1)CC2
InChIInChI=1S/C20H30N6O/c1-2-18-24-19-10-9-16(14-26(19)25-18)23-20(22-15-6-3-4-7-15)21-12-11-17-8-5-13-27-17/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H2,21,22,23)
InChIKeyHRELLTCEIFCNKA-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.47
Rot. Bonds6

About 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

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 (PubChem CID 110055820) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID110055820
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-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
SMILESCCc1nc2n(n1)CC(N/C(=N/CCc1ccco1)NC1CCCC1)CC2
InChIInChI=1S/C20H30N6O/c1-2-18-24-19-10-9-16(14-26(19)25-18)23-20(22-15-6-3-4-7-15)21-12-11-17-8-5-13-27-17/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H2,21,22,23)
InChIKeyHRELLTCEIFCNKA-UHFFFAOYSA-N
XLogP2.47
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.47
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'}

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Related Compounds

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
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
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-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-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-[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
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
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-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055715
1-(2-bicyclo[2.2.1]heptanyl)-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 110055565

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2n(n1)CC(N/C(=N/CCc1ccco1)NC1CCCC1)CC2.
What is the InChIKey of 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?
The InChIKey is HRELLTCEIFCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-18-24-19-10-9-16(14-26(19)25-18)23-20(22-15-6-3-4-7-15)21-12-11-17-8-5-13-27-17/h5,8,13,15-16H,2-4,6-7,9-12,14H2,1H3,(H2,21,22,23).
What are the key properties of 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?
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 has a molecular weight of 370.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110055820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).