(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide

C15H19N5O2 — CID 120939329

IUPAC(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C15H19N5O2/c1-11-14(17-5-6-22-11)15(21)19-13-4-2-3-12(7-13)8-20-10-16-9-18-20/h2-4,7,9-11,14,17H,5-6,8H2,1H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyNZLZJYHNFSBAIC-RISCZKNCSA-N
MW301.35 g/mol
LogP0.64
Rot. Bonds4

About (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide (PubChem CID 120939329) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
PubChem CID120939329
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C15H19N5O2/c1-11-14(17-5-6-22-11)15(21)19-13-4-2-3-12(7-13)8-20-10-16-9-18-20/h2-4,7,9-11,14,17H,5-6,8H2,1H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyNZLZJYHNFSBAIC-RISCZKNCSA-N
XLogP0.64
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120940530
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide
CID 120924189
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
(2R,3S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925553
(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 120940633
(2R,3S)-2-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]morpholine-3-carboxamide
CID 120939084
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide (CID 120939329) is (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is NZLZJYHNFSBAIC-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-14(17-5-6-22-11)15(21)19-13-4-2-3-12(7-13)8-20-10-16-9-18-20/h2-4,7,9-11,14,17H,5-6,8H2,1H3,(H,19,21)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120939329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).