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

C16H22N4O — CID 157016401

IUPAC4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESCCCCc1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C16H22N4O/c1-2-3-4-13-5-7-14(8-6-13)15-17-16(19-18-15)20-9-11-21-12-10-20/h5-8H,2-4,9-12H2,1H3,(H,17,18,19)
InChIKeyUWKKJOMFFAEVHD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds5

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

4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine (PubChem CID 157016401) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine
PubChem CID157016401
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine
SMILESCCCCc1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C16H22N4O/c1-2-3-4-13-5-7-14(8-6-13)15-17-16(19-18-15)20-9-11-21-12-10-20/h5-8H,2-4,9-12H2,1H3,(H,17,18,19)
InChIKeyUWKKJOMFFAEVHD-UHFFFAOYSA-N
XLogP2.65
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-butoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162629868
4-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 155915225
5-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine
CID 17129698
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654
4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162638224
2-N-(4-butylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-chloro-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 45133451
1-[1-[5-(4-iodophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799263
4-[5-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 10037615
1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573750
5-(4-pentylphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazole
CID 2743439
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 163309179
N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 53098930

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine (CID 157016401) is 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine is CCCCc1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1.
What is the InChIKey of 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
The InChIKey is UWKKJOMFFAEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-3-4-13-5-7-14(8-6-13)15-17-16(19-18-15)20-9-11-21-12-10-20/h5-8H,2-4,9-12H2,1H3,(H,17,18,19).
What are the key properties of 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine?
4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine has a molecular weight of 286.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-butylphenyl)-1H-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 157016401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).