4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile

C17H21N5O2 — CID 129332456

IUPAC4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
SMILESCCn1cnnc1[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C17H21N5O2/c1-2-22-13-19-20-17(22)16-12-21(8-10-24-16)7-9-23-15-5-3-14(11-18)4-6-15/h3-6,13,16H,2,7-10,12H2,1H3/t16-/m1/s1
InChIKeyDJKULBZKKICOJA-MRXNPFEDSA-N
MW327.39 g/mol
LogP1.62
Rot. Bonds6

About 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile

4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile (PubChem CID 129332456) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
PubChem CID129332456
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
SMILESCCn1cnnc1[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1
InChIInChI=1S/C17H21N5O2/c1-2-22-13-19-20-17(22)16-12-21(8-10-24-16)7-9-23-15-5-3-14(11-18)4-6-15/h3-6,13,16H,2,7-10,12H2,1H3/t16-/m1/s1
InChIKeyDJKULBZKKICOJA-MRXNPFEDSA-N
XLogP1.62
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 128997059
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
4-[[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-3-methoxybenzonitrile
CID 129335963
4-[2-[(2S)-2-methylmorpholin-4-yl]ethoxy]benzonitrile
CID 92983510
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
CID 129330303
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine
CID 129344444
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile (CID 129332456) is 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile is CCn1cnnc1[C@H]1CN(CCOc2ccc(C#N)cc2)CCO1.
What is the InChIKey of 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile?
The InChIKey is DJKULBZKKICOJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-22-13-19-20-17(22)16-12-21(8-10-24-16)7-9-23-15-5-3-14(11-18)4-6-15/h3-6,13,16H,2,7-10,12H2,1H3/t16-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile?
4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile has a molecular weight of 327.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile is sourced from PubChem (CID 129332456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).