5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile

C14H17N5OS — CID 129340117

IUPAC5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
SMILESCCn1cnnc1[C@H]1CN(Cc2ccc(C#N)s2)CCO1
InChIInChI=1S/C14H17N5OS/c1-2-19-10-16-17-14(19)13-9-18(5-6-20-13)8-12-4-3-11(7-15)21-12/h3-4,10,13H,2,5-6,8-9H2,1H3/t13-/m1/s1
InChIKeyPLUHMHCKYNEHAR-CYBMUJFWSA-N
MW303.39 g/mol
LogP1.80
Rot. Bonds4

About 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile

5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile (PubChem CID 129340117) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
PubChem CID129340117
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
SMILESCCn1cnnc1[C@H]1CN(Cc2ccc(C#N)s2)CCO1
InChIInChI=1S/C14H17N5OS/c1-2-19-10-16-17-14(19)13-9-18(5-6-20-13)8-12-4-3-11(7-15)21-12/h3-4,10,13H,2,5-6,8-9H2,1H3/t13-/m1/s1
InChIKeyPLUHMHCKYNEHAR-CYBMUJFWSA-N
XLogP1.80
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
4-[[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-3-methoxybenzonitrile
CID 129335963
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 129332456
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile (CID 129340117) is 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile is CCn1cnnc1[C@H]1CN(Cc2ccc(C#N)s2)CCO1.
What is the InChIKey of 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile?
The InChIKey is PLUHMHCKYNEHAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-19-10-16-17-14(19)13-9-18(5-6-20-13)8-12-4-3-11(7-15)21-12/h3-4,10,13H,2,5-6,8-9H2,1H3/t13-/m1/s1.
What are the key properties of 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile?
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile has a molecular weight of 303.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 129340117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).