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

C15H19N5O2 — CID 120925374

IUPAC(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H19N5O2/c1-10-13(16-6-7-22-10)15(21)18-12-5-3-4-11(8-12)14-19-17-9-20(14)2/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,18,21)/t10-,13+/m1/s1
InChIKeyFBDQQXAWKMFSAX-MFKMUULPSA-N
MW301.35 g/mol
LogP0.80
Rot. Bonds3

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

(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide (PubChem CID 120925374) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
PubChem CID120925374
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H19N5O2/c1-10-13(16-6-7-22-10)15(21)18-12-5-3-4-11(8-12)14-19-17-9-20(14)2/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,18,21)/t10-,13+/m1/s1
InChIKeyFBDQQXAWKMFSAX-MFKMUULPSA-N
XLogP0.80
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide (CID 120925374) is (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide?
The InChIKey is FBDQQXAWKMFSAX-MFKMUULPSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-13(16-6-7-22-10)15(21)18-12-5-3-4-11(8-12)14-19-17-9-20(14)2/h3-5,8-10,13,16H,6-7H2,1-2H3,(H,18,21)/t10-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.80, 3 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-(4-methyl-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).