4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine

C13H22N4O — CID 66247471

IUPAC4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-2-14-11-8-18-7-10(11)13-15-12(16-17-13)9-5-3-4-6-9/h9-11,14H,2-8H2,1H3,(H,15,16,17)
InChIKeyZWAJNDKVIXHZAX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.55
Rot. Bonds4

About 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine

4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine (PubChem CID 66247471) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
PubChem CID66247471
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-2-14-11-8-18-7-10(11)13-15-12(16-17-13)9-5-3-4-6-9/h9-11,14H,2-8H2,1H3,(H,15,16,17)
InChIKeyZWAJNDKVIXHZAX-UHFFFAOYSA-N
XLogP1.55
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
The IUPAC name of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine (CID 66247471) is 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
The canonical SMILES for 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine is CCNC1COCC1c1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
The InChIKey is ZWAJNDKVIXHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-14-11-8-18-7-10(11)13-15-12(16-17-13)9-5-3-4-6-9/h9-11,14H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine is sourced from PubChem (CID 66247471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).