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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Related Compounds

CID 129615244
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CID 61277740
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CID 61336588
CID 61336588
CID 61336782
CID 61336782
CID 61337357
CID 61337357
CID 61337379
CID 61337379
CID 61338163
CID 61338163
CID 61338315
CID 61338315
CID 61737014
CID 61737014
CID 62480751
CID 62480751
CID 62722711
CID 62722711
CID 63876692
CID 63876692

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).