1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide

C15H23IN8 — CID 119934052

IUPAC1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCN(c2nccn3cnnc23)C1)NC1CC1
InChIInChI=1S/C15H22N8.HI/c16-15(20-12-3-4-12)18-8-11-2-1-6-22(9-11)13-14-21-19-10-23(14)7-5-17-13;/h5,7,10-12H,1-4,6,8-9H2,(H3,16,18,20);1H
InChIKeyNWKWPZWMPDQIJR-UHFFFAOYSA-N
MW442.31 g/mol
LogP1.03
Rot. Bonds4

About 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide

1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide (PubChem CID 119934052) has the molecular formula C15H23IN8 and a molecular weight of 442.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
PubChem CID119934052
Molecular FormulaC15H23IN8
Molecular Weight442.31 g/mol
Exact Mass442.11
IUPAC Name1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCN(c2nccn3cnnc23)C1)NC1CC1
InChIInChI=1S/C15H22N8.HI/c16-15(20-12-3-4-12)18-8-11-2-1-6-22(9-11)13-14-21-19-10-23(14)7-5-17-13;/h5,7,10-12H,1-4,6,8-9H2,(H3,16,18,20);1H
InChIKeyNWKWPZWMPDQIJR-UHFFFAOYSA-N
XLogP1.03
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide
CID 119933987
1-(3-ethylphenyl)-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine
CID 119934071
(3S)-1-cycloheptyl-5-oxo-N-[[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]pyrrolidine-3-carboxamide
CID 98800843
N-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171326342
3-(3-but-3-ynyldiazirin-3-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide
CID 166409235
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114682577
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]propanamide
CID 155950649
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 80673667
8-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605294
8-[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218844
8-[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97218843
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide (CID 119934052) is 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide is I.N/C(=N\CC1CCCN(c2nccn3cnnc23)C1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide?
The InChIKey is NWKWPZWMPDQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8.HI/c16-15(20-12-3-4-12)18-8-11-2-1-6-22(9-11)13-14-21-19-10-23(14)7-5-17-13;/h5,7,10-12H,1-4,6,8-9H2,(H3,16,18,20);1H.
What are the key properties of 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide?
1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide has a molecular weight of 442.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119934052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).