(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol

C17H23N5O2 — CID 56905170

IUPAC(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cn(-c3ccccc3)nn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H23N5O2/c23-17-13-20(12-16(17)21-6-8-24-9-7-21)10-14-11-22(19-18-14)15-4-2-1-3-5-15/h1-5,11,16-17,23H,6-10,12-13H2/t16-,17-/m0/s1
InChIKeySETVQTMHRWJGRA-IRXDYDNUSA-N
MW329.40 g/mol
LogP0.14
Rot. Bonds4

About (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol

(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 56905170) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID56905170
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cn(-c3ccccc3)nn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C17H23N5O2/c23-17-13-20(12-16(17)21-6-8-24-9-7-21)10-14-11-22(19-18-14)15-4-2-1-3-5-15/h1-5,11,16-17,23H,6-10,12-13H2/t16-,17-/m0/s1
InChIKeySETVQTMHRWJGRA-IRXDYDNUSA-N
XLogP0.14
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol (CID 56905170) is (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol is O[C@H]1CN(Cc2cn(-c3ccccc3)nn2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SETVQTMHRWJGRA-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17-13-20(12-16(17)21-6-8-24-9-7-21)10-14-11-22(19-18-14)15-4-2-1-3-5-15/h1-5,11,16-17,23H,6-10,12-13H2/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 329.40 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-yl-1-[(1-phenyltriazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 56905170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).