[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone

C14H17N5O2S — CID 6498420

IUPAC[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
SMILESCSc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1
InChIInChI=1S/C14H17N5O2S/c1-22-11-4-2-3-10(9-11)19-13(15)12(16-17-19)14(20)18-5-7-21-8-6-18/h2-4,9H,5-8,15H2,1H3
InChIKeyJWSNIAYVRJIELH-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.04
Rot. Bonds3

About [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone

[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 6498420) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
PubChem CID6498420
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
SMILESCSc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1
InChIInChI=1S/C14H17N5O2S/c1-22-11-4-2-3-10(9-11)19-13(15)12(16-17-19)14(20)18-5-7-21-8-6-18/h2-4,9H,5-8,15H2,1H3
InChIKeyJWSNIAYVRJIELH-UHFFFAOYSA-N
XLogP1.04
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]furan-2-carboxamide
CID 43819269
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039323
N-[3-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 17039324
1-[1-(3-methylsulfanylphenyl)-5-phenyltriazol-4-yl]ethanone
CID 94940193
N-[4-[5-amino-4-(morpholine-4-carbonyl)triazol-1-yl]phenyl]-4-methoxybenzenesulfonamide
CID 17039305
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55797238
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 50849333
3-(5-amino-4-propan-2-yloxycarbonyltriazol-1-yl)benzoic acid
CID 82197379

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone (CID 6498420) is [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone is CSc1cccc(-n2nnc(C(=O)N3CCOCC3)c2N)c1.
What is the InChIKey of [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JWSNIAYVRJIELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-22-11-4-2-3-10(9-11)19-13(15)12(16-17-19)14(20)18-5-7-21-8-6-18/h2-4,9H,5-8,15H2,1H3.
What are the key properties of [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone?
[5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 319.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3-methylsulfanylphenyl)triazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).