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

C19H29IN6O — CID 110057299

IUPAC1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
SMILESCc1nc2n(n1)CCCC2N/C(=N/CCc1ccco1)NC1CCCC1.I
InChIInChI=1S/C19H28N6O.HI/c1-14-21-18-17(9-4-12-25(18)24-14)23-19(22-15-6-2-3-7-15)20-11-10-16-8-5-13-26-16;/h5,8,13,15,17H,2-4,6-7,9-12H2,1H3,(H2,20,22,23);1H
InChIKeyFTYSFJYWYGTUPF-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.35
Rot. Bonds5

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

1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide (PubChem CID 110057299) has the molecular formula C19H29IN6O and a molecular weight of 484.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
PubChem CID110057299
Molecular FormulaC19H29IN6O
Molecular Weight484.39 g/mol
Exact Mass484.14
IUPAC Name1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
SMILESCc1nc2n(n1)CCCC2N/C(=N/CCc1ccco1)NC1CCCC1.I
InChIInChI=1S/C19H28N6O.HI/c1-14-21-18-17(9-4-12-25(18)24-14)23-19(22-15-6-2-3-7-15)20-11-10-16-8-5-13-26-16;/h5,8,13,15,17H,2-4,6-7,9-12H2,1H3,(H2,20,22,23);1H
InChIKeyFTYSFJYWYGTUPF-UHFFFAOYSA-N
XLogP3.35
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
CID 110057300
2-[2-(furan-2-yl)ethyl]-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-phenylethyl)guanidine
CID 110057288
1-cyclohexyl-3-cyclopropyl-2-[2-(furan-2-yl)ethyl]guanidine
CID 119115657
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111841705
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110054123
1-[2-(furan-2-yl)ethyl]-2-[3-(N-methylanilino)propyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
CID 110057286
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]guanidine
CID 110054124
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]guanidine;hydroiodide
CID 110055329
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979545
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-[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-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059883

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide (CID 110057299) is 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide is Cc1nc2n(n1)CCCC2N/C(=N/CCc1ccco1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide?
The InChIKey is FTYSFJYWYGTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.HI/c1-14-21-18-17(9-4-12-25(18)24-14)23-19(22-15-6-2-3-7-15)20-11-10-16-8-5-13-26-16;/h5,8,13,15,17H,2-4,6-7,9-12H2,1H3,(H2,20,22,23);1H.
What are the key properties of 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide?
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide has a molecular weight of 484.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide is sourced from PubChem (CID 110057299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).