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

C15H27IN6O — CID 119153116

IUPAC1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
SMILESC/N=C(\NCC1(O)CCCC1)NC1CCCn2nc(C)nc21.I
InChIInChI=1S/C15H26N6O.HI/c1-11-18-13-12(6-5-9-21(13)20-11)19-14(16-2)17-10-15(22)7-3-4-8-15;/h12,22H,3-10H2,1-2H3,(H2,16,17,19);1H
InChIKeyCKUOFRJIIDTXBU-UHFFFAOYSA-N
MW434.33 g/mol
LogP1.51
Rot. Bonds3

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

1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide (PubChem CID 119153116) has the molecular formula C15H27IN6O and a molecular weight of 434.33 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
PubChem CID119153116
Molecular FormulaC15H27IN6O
Molecular Weight434.33 g/mol
Exact Mass434.13
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
SMILESC/N=C(\NCC1(O)CCCC1)NC1CCCn2nc(C)nc21.I
InChIInChI=1S/C15H26N6O.HI/c1-11-18-13-12(6-5-9-21(13)20-11)19-14(16-2)17-10-15(22)7-3-4-8-15;/h12,22H,3-10H2,1-2H3,(H2,16,17,19);1H
InChIKeyCKUOFRJIIDTXBU-UHFFFAOYSA-N
XLogP1.51
TPSA87.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-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-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide (CID 119153116) is 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-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-[(1-hydroxycyclopentyl)methyl]-2-methyl-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-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide is C/N=C(\NCC1(O)CCCC1)NC1CCCn2nc(C)nc21.I.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide?
The InChIKey is CKUOFRJIIDTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O.HI/c1-11-18-13-12(6-5-9-21(13)20-11)19-14(16-2)17-10-15(22)7-3-4-8-15;/h12,22H,3-10H2,1-2H3,(H2,16,17,19);1H.
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide?
1-[(1-hydroxycyclopentyl)methyl]-2-methyl-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 434.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-2-methyl-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 119153116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).