4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine

C22H24N6O — CID 57406915

IUPAC4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine
SMILESc1cc(CCCN2CCOCC2)cc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1
InChIInChI=1S/C22H24N6O/c1-2-9-20-19(8-1)22(25-23-20)21-16-28(26-24-21)18-7-3-5-17(15-18)6-4-10-27-11-13-29-14-12-27/h1-3,5,7-9,15-16H,4,6,10-14H2,(H,23,25)
InChIKeyCOJXSPNOSIUVHI-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.08
Rot. Bonds6

About 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine

4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine (PubChem CID 57406915) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine
PubChem CID57406915
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine
SMILESc1cc(CCCN2CCOCC2)cc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1
InChIInChI=1S/C22H24N6O/c1-2-9-20-19(8-1)22(25-23-20)21-16-28(26-24-21)18-7-3-5-17(15-18)6-4-10-27-11-13-29-14-12-27/h1-3,5,7-9,15-16H,4,6,10-14H2,(H,23,25)
InChIKeyCOJXSPNOSIUVHI-UHFFFAOYSA-N
XLogP3.08
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid
CID 67981302
3-[1-[4-[1-(2-fluoroethyl)piperidin-4-yl]phenyl]triazol-4-yl]-1H-indazole
CID 57404829
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
[4-[4-[5-[(3-hydroxyazetidin-1-yl)methyl]-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57406020
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
1-(3-fluorophenyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684092

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine (CID 57406915) is 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine is c1cc(CCCN2CCOCC2)cc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1.
What is the InChIKey of 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine?
The InChIKey is COJXSPNOSIUVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-9-20-19(8-1)22(25-23-20)21-16-28(26-24-21)18-7-3-5-17(15-18)6-4-10-27-11-13-29-14-12-27/h1-3,5,7-9,15-16H,4,6,10-14H2,(H,23,25).
What are the key properties of 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine?
4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine has a molecular weight of 388.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine is sourced from PubChem (CID 57406915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).