5-cycloheptyl-3-iodopyrazin-2-amine

C11H16IN3 — CID 147044003

IUPAC5-cycloheptyl-3-iodopyrazin-2-amine
SMILESNc1ncc(C2CCCCCC2)nc1I
InChIInChI=1S/C11H16IN3/c12-10-11(13)14-7-9(15-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,13,14)
InChIKeyLDJOFCUJCUTSOP-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.10
Rot. Bonds1

About 5-cycloheptyl-3-iodopyrazin-2-amine

5-cycloheptyl-3-iodopyrazin-2-amine (PubChem CID 147044003) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 5-cycloheptyl-3-iodopyrazin-2-amine.

Molecular Properties

Compound Name5-cycloheptyl-3-iodopyrazin-2-amine
PubChem CID147044003
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name5-cycloheptyl-3-iodopyrazin-2-amine
SMILESNc1ncc(C2CCCCCC2)nc1I
InChIInChI=1S/C11H16IN3/c12-10-11(13)14-7-9(15-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,13,14)
InChIKeyLDJOFCUJCUTSOP-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-cyclohexyl-N-(diaminomethylidene)pyrazine-2-carboxamide
CID 154240941
2-cyclopentyl-5-iodopyrimidin-4-amine
CID 66303504
5-cyclohexylpyrimidine-2,4-diamine
CID 23086329
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
2-cyclohexyl-5-methoxypyrimidin-4-amine
CID 83820292
5-cyclopentyl-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 66779498
5-chloro-2-cyclohexyl-4-iodopyridine
CID 123984444
5-bromo-2-cyclooctylpyrimidin-4-amine
CID 80610598
5-cyclohexyl-2H-1,2,4-triazine-3-thione
CID 24847136
5-(4-cyclohexyl-1,3-thiazol-2-yl)-2-methylpyrimidin-4-amine
CID 55145590
3,6-dicyclopropylpyrazin-2-amine;2,3-dihydro-1H-indene
CID 142247195
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144855513

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-3-iodopyrazin-2-amine?
The IUPAC name of 5-cycloheptyl-3-iodopyrazin-2-amine (CID 147044003) is 5-cycloheptyl-3-iodopyrazin-2-amine.
What is the SMILES notation for 5-cycloheptyl-3-iodopyrazin-2-amine?
The canonical SMILES for 5-cycloheptyl-3-iodopyrazin-2-amine is Nc1ncc(C2CCCCCC2)nc1I.
What is the InChIKey of 5-cycloheptyl-3-iodopyrazin-2-amine?
The InChIKey is LDJOFCUJCUTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c12-10-11(13)14-7-9(15-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,13,14).
What are the key properties of 5-cycloheptyl-3-iodopyrazin-2-amine?
5-cycloheptyl-3-iodopyrazin-2-amine has a molecular weight of 317.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-3-iodopyrazin-2-amine is sourced from PubChem (CID 147044003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).