(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C13H16ClN5O2 — CID 96996893

IUPAC(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc([C@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n[nH]1
InChIInChI=1S/C13H16ClN5O2/c1-2-11-16-12(18-17-11)10-7-19(3-4-21-10)13(20)9-5-8(14)6-15-9/h5-6,10,15H,2-4,7H2,1H3,(H,16,17,18)/t10-/m1/s1
InChIKeyWDMNFOTYOLSCLB-SNVBAGLBSA-N
MW309.76 g/mol
LogP1.56
Rot. Bonds3

About (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 96996893) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID96996893
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc([C@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n[nH]1
InChIInChI=1S/C13H16ClN5O2/c1-2-11-16-12(18-17-11)10-7-19(3-4-21-10)13(20)9-5-8(14)6-15-9/h5-6,10,15H,2-4,7H2,1H3,(H,16,17,18)/t10-/m1/s1
InChIKeyWDMNFOTYOLSCLB-SNVBAGLBSA-N
XLogP1.56
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928757
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97352196
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996894
5-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996895
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96996923

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 96996893) is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc([C@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n[nH]1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is WDMNFOTYOLSCLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-2-11-16-12(18-17-11)10-7-19(3-4-21-10)13(20)9-5-8(14)6-15-9/h5-6,10,15H,2-4,7H2,1H3,(H,16,17,18)/t10-/m1/s1.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 309.76 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 96996893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).