N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine

C10H18N4O — CID 83228490

IUPACN-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1ncnc1CNOC1CCCC1
InChIInChI=1S/C10H18N4O/c1-2-14-10(11-8-12-14)7-13-15-9-5-3-4-6-9/h8-9,13H,2-7H2,1H3
InChIKeyRDZVTVGEUBBESO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.26
Rot. Bonds5

About N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine

N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 83228490) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
PubChem CID83228490
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1ncnc1CNOC1CCCC1
InChIInChI=1S/C10H18N4O/c1-2-14-10(11-8-12-14)7-13-15-9-5-3-4-6-9/h8-9,13H,2-7H2,1H3
InChIKeyRDZVTVGEUBBESO-UHFFFAOYSA-N
XLogP1.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine (CID 83228490) is N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine is CCn1ncnc1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is RDZVTVGEUBBESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-14-10(11-8-12-14)7-13-15-9-5-3-4-6-9/h8-9,13H,2-7H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 210.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 83228490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).