(1-cyclopentyl-5-iodotriazol-4-yl)methanamine

C8H13IN4 — CID 165456618

IUPAC(1-cyclopentyl-5-iodotriazol-4-yl)methanamine
SMILESNCc1nnn(C2CCCC2)c1I
InChIInChI=1S/C8H13IN4/c9-8-7(5-10)11-12-13(8)6-3-1-2-4-6/h6H,1-5,10H2
InChIKeyXPJMWTPIDSCWPC-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.46
Rot. Bonds2

About (1-cyclopentyl-5-iodotriazol-4-yl)methanamine

(1-cyclopentyl-5-iodotriazol-4-yl)methanamine (PubChem CID 165456618) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is (1-cyclopentyl-5-iodotriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-cyclopentyl-5-iodotriazol-4-yl)methanamine
PubChem CID165456618
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC Name(1-cyclopentyl-5-iodotriazol-4-yl)methanamine
SMILESNCc1nnn(C2CCCC2)c1I
InChIInChI=1S/C8H13IN4/c9-8-7(5-10)11-12-13(8)6-3-1-2-4-6/h6H,1-5,10H2
InChIKeyXPJMWTPIDSCWPC-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-5-iodotriazol-4-yl)methanamine?
The IUPAC name of (1-cyclopentyl-5-iodotriazol-4-yl)methanamine (CID 165456618) is (1-cyclopentyl-5-iodotriazol-4-yl)methanamine.
What is the SMILES notation for (1-cyclopentyl-5-iodotriazol-4-yl)methanamine?
The canonical SMILES for (1-cyclopentyl-5-iodotriazol-4-yl)methanamine is NCc1nnn(C2CCCC2)c1I.
What is the InChIKey of (1-cyclopentyl-5-iodotriazol-4-yl)methanamine?
The InChIKey is XPJMWTPIDSCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c9-8-7(5-10)11-12-13(8)6-3-1-2-4-6/h6H,1-5,10H2.
What are the key properties of (1-cyclopentyl-5-iodotriazol-4-yl)methanamine?
(1-cyclopentyl-5-iodotriazol-4-yl)methanamine has a molecular weight of 292.12 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-5-iodotriazol-4-yl)methanamine is sourced from PubChem (CID 165456618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).