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

C15H26N4O — CID 66253909

IUPAC4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C15H26N4O/c1-2-8-16-13-10-20-9-12(13)15-17-14(18-19-15)11-6-4-3-5-7-11/h11-13,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyNDKRMCXAXKHCIR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.33
Rot. Bonds5

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

4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine (PubChem CID 66253909) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine
PubChem CID66253909
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C15H26N4O/c1-2-8-16-13-10-20-9-12(13)15-17-14(18-19-15)11-6-4-3-5-7-11/h11-13,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyNDKRMCXAXKHCIR-UHFFFAOYSA-N
XLogP2.33
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.33
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-propyloxolan-3-amine?
The IUPAC name of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine (CID 66253909) is 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine?
The InChIKey is NDKRMCXAXKHCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-8-16-13-10-20-9-12(13)15-17-14(18-19-15)11-6-4-3-5-7-11/h11-13,16H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine?
4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-propyloxolan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 2.33, 5 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-propyloxolan-3-amine is sourced from PubChem (CID 66253909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).