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

C14H24N4O — CID 66247668

IUPAC4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C14H24N4O/c1-2-15-12-9-19-8-11(12)14-16-13(17-18-14)10-6-4-3-5-7-10/h10-12,15H,2-9H2,1H3,(H,16,17,18)
InChIKeyXTJSOYKEZNLMSB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.94
Rot. Bonds4

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

4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine (PubChem CID 66247668) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
PubChem CID66247668
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C14H24N4O/c1-2-15-12-9-19-8-11(12)14-16-13(17-18-14)10-6-4-3-5-7-10/h10-12,15H,2-9H2,1H3,(H,16,17,18)
InChIKeyXTJSOYKEZNLMSB-UHFFFAOYSA-N
XLogP1.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
The IUPAC name of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine (CID 66247668) is 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
The canonical SMILES for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine is CCNC1COCC1c1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
The InChIKey is XTJSOYKEZNLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-15-12-9-19-8-11(12)14-16-13(17-18-14)10-6-4-3-5-7-10/h10-12,15H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine?
4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine is sourced from PubChem (CID 66247668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).