1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

C15H25N5O3 — CID 127248055

IUPAC1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC(O)(CN2CCOCC2)C1)n1cncn1
InChIInChI=1S/C15H25N5O3/c1-14(2,20-12-16-11-17-20)13(21)19-4-3-15(22,10-19)9-18-5-7-23-8-6-18/h11-12,22H,3-10H2,1-2H3
InChIKeyUTONGXOEAMBQML-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.69
Rot. Bonds4

About 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 127248055) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID127248055
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC(O)(CN2CCOCC2)C1)n1cncn1
InChIInChI=1S/C15H25N5O3/c1-14(2,20-12-16-11-17-20)13(21)19-4-3-15(22,10-19)9-18-5-7-23-8-6-18/h11-12,22H,3-10H2,1-2H3
InChIKeyUTONGXOEAMBQML-UHFFFAOYSA-N
XLogP-0.69
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (CID 127248055) is 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C)(C(=O)N1CCC(O)(CN2CCOCC2)C1)n1cncn1.
What is the InChIKey of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is UTONGXOEAMBQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-14(2,20-12-16-11-17-20)13(21)19-4-3-15(22,10-19)9-18-5-7-23-8-6-18/h11-12,22H,3-10H2,1-2H3.
What are the key properties of 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 323.40 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 127248055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).