4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine

C15H20N4O2 — CID 157015654

IUPAC4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESCC(C)Oc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1
InChIInChI=1S/C15H20N4O2/c1-11(2)21-13-5-3-4-12(10-13)14-16-15(18-17-14)19-6-8-20-9-7-19/h3-5,10-11H,6-9H2,1-2H3,(H,16,17,18)
InChIKeyAUIMFSDFONQCIT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.10
Rot. Bonds4

About 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine

4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine (PubChem CID 157015654) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
PubChem CID157015654
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESCC(C)Oc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1
InChIInChI=1S/C15H20N4O2/c1-11(2)21-13-5-3-4-12(10-13)14-16-15(18-17-14)19-6-8-20-9-7-19/h3-5,10-11H,6-9H2,1-2H3,(H,16,17,18)
InChIKeyAUIMFSDFONQCIT-UHFFFAOYSA-N
XLogP2.10
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-butoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162629868
4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162638224
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 102799233
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
4-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 155915225
N-(4-morpholin-4-ylphenyl)-5-(3-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 17129734
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157016401
2-(4-morpholin-4-yl-6-pyridin-4-ylthieno[3,2-d]pyrimidin-2-yl)-5-(3-propan-2-yloxyphenyl)-1H-pyrazol-3-one
CID 155343090
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine
CID 70857113

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine (CID 157015654) is 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine is CC(C)Oc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1.
What is the InChIKey of 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The InChIKey is AUIMFSDFONQCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)21-13-5-3-4-12(10-13)14-16-15(18-17-14)19-6-8-20-9-7-19/h3-5,10-11H,6-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine has a molecular weight of 288.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 157015654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).