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

C20H29IN6O — CID 119156176

IUPAC2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCOc2ccccc21)NC1CCc2nc(C)nn2C1.I
InChIInChI=1S/C20H28N6O.HI/c1-3-21-20(24-16-8-9-19-23-14(2)25-26(19)13-16)22-12-15-10-11-27-18-7-5-4-6-17(15)18;/h4-7,15-16H,3,8-13H2,1-2H3,(H2,21,22,24);1H
InChIKeyYJRAKWQLPMMTJG-UHFFFAOYSA-N
MW496.40 g/mol
LogP2.64
Rot. Bonds4

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

2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide (PubChem CID 119156176) has the molecular formula C20H29IN6O and a molecular weight of 496.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
PubChem CID119156176
Molecular FormulaC20H29IN6O
Molecular Weight496.40 g/mol
Exact Mass496.14
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC1CCOc2ccccc21)NC1CCc2nc(C)nn2C1.I
InChIInChI=1S/C20H28N6O.HI/c1-3-21-20(24-16-8-9-19-23-14(2)25-26(19)13-16)22-12-15-10-11-27-18-7-5-4-6-17(15)18;/h4-7,15-16H,3,8-13H2,1-2H3,(H2,21,22,24);1H
InChIKeyYJRAKWQLPMMTJG-UHFFFAOYSA-N
XLogP2.64
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 52.64
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-(1-cyclopropylpiperidin-4-yl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine;hydroiodide
CID 119155996
N-[2-[[ethylamino-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111995202
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95344349
2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041053
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylguanidine
CID 119156015
1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine
CID 119158497
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 111995219
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119155152
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111836729
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111840180
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119156263
2-methyl-1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(naphthalen-1-ylmethyl)guanidine
CID 111978280

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide (CID 119156176) is 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide is CCN/C(=N\CC1CCOc2ccccc21)NC1CCc2nc(C)nn2C1.I.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?
The InChIKey is YJRAKWQLPMMTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.HI/c1-3-21-20(24-16-8-9-19-23-14(2)25-26(19)13-16)22-12-15-10-11-27-18-7-5-4-6-17(15)18;/h4-7,15-16H,3,8-13H2,1-2H3,(H2,21,22,24);1H.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide has a molecular weight of 496.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide is sourced from PubChem (CID 119156176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).