N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C16H21N5O2 — CID 125438119

IUPACN-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C16H21N5O2/c1-12(10-21-6-8-23-9-7-21)19-16(22)14-5-3-2-4-13(14)15-17-11-18-20-15/h2-5,11-12H,6-10H2,1H3,(H,19,22)(H,17,18,20)/t12-/m0/s1
InChIKeyQQSCIJJMEOXEBS-LBPRGKRZSA-N
MW315.38 g/mol
LogP0.92
Rot. Bonds5

About N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 125438119) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID125438119
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C16H21N5O2/c1-12(10-21-6-8-23-9-7-21)19-16(22)14-5-3-2-4-13(14)15-17-11-18-20-15/h2-5,11-12H,6-10H2,1H3,(H,19,22)(H,17,18,20)/t12-/m0/s1
InChIKeyQQSCIJJMEOXEBS-LBPRGKRZSA-N
XLogP0.92
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1H-1,2,4-Triazol-3-YL)benzoyl]-2-(trifluoromethyl)morpholine
CID 56869281
4-[2-(1H-1,2,4-Triazol-3-YL)benzoyl]-2-(trifluoromethyl)morpholine
CID 56879972
3-iodo-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 71918651
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-2-(1H-1,2,4-triazol-3-yl)benzamide
CID 91765404
N-[1-(2-phenylethyl)-3-piperidinyl]-2-(1H-1,2,4-triazol-3-yl)benzamide
CID 56891797
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(1H-1,2,4-triazol-3-yl)benzamide
CID 70775327
[(trans-4-{[2-(1H-1,2,4-triazol-3-yl)benzoyl]amino}tetrahydro-2H-pyran-3-yl)oxy]acetic acid
CID 91796097
1-Benzoyl-2-(5-methyl-4H-1,2,4-triazol-3-YL)piperidine
CID 110194757
1-Benzoyl-2-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 124071803
N-[1-(4-fluorobenzyl)-5-oxopyrrolidin-3-yl]-2-(1H-1,2,4-triazol-3-yl)benzamide
CID 56889995
2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 71937205

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 125438119) is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is QQSCIJJMEOXEBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12(10-21-6-8-23-9-7-21)19-16(22)14-5-3-2-4-13(14)15-17-11-18-20-15/h2-5,11-12H,6-10H2,1H3,(H,19,22)(H,17,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 125438119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).