5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine

C10H18N4O — CID 106459893

IUPAC5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine
SMILESCCCOCCn1nnc(N)c1C1CC1
InChIInChI=1S/C10H18N4O/c1-2-6-15-7-5-14-9(8-3-4-8)10(11)12-13-14/h8H,2-7,11H2,1H3
InChIKeyZDUXCEOJSHZPJA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.16
Rot. Bonds6

About 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine

5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine (PubChem CID 106459893) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine
PubChem CID106459893
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine
SMILESCCCOCCn1nnc(N)c1C1CC1
InChIInChI=1S/C10H18N4O/c1-2-6-15-7-5-14-9(8-3-4-8)10(11)12-13-14/h8H,2-7,11H2,1H3
InChIKeyZDUXCEOJSHZPJA-UHFFFAOYSA-N
XLogP1.16
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine (CID 106459893) is 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine is CCCOCCn1nnc(N)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine?
The InChIKey is ZDUXCEOJSHZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-6-15-7-5-14-9(8-3-4-8)10(11)12-13-14/h8H,2-7,11H2,1H3.
What are the key properties of 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine?
5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine has a molecular weight of 210.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine is sourced from PubChem (CID 106459893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).