4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine

C15H22N4OS — CID 136572941

IUPAC4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(c2nnc(Cc3cccs3)n2C)CCO1
InChIInChI=1S/C15H22N4OS/c1-11(2)13-10-19(6-7-20-13)15-17-16-14(18(15)3)9-12-5-4-8-21-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeySAMZLHCWGGQPEN-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.33
Rot. Bonds4

About 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine

4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine (PubChem CID 136572941) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
PubChem CID136572941
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(c2nnc(Cc3cccs3)n2C)CCO1
InChIInChI=1S/C15H22N4OS/c1-11(2)13-10-19(6-7-20-13)15-17-16-14(18(15)3)9-12-5-4-8-21-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3
InChIKeySAMZLHCWGGQPEN-UHFFFAOYSA-N
XLogP2.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
CID 71928053
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine
CID 71928067
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
CID 71928110
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 72043926
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine
CID 72122551
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
CID 72122689
5-[(2S)-2-methyloxolan-2-yl]-3-(thiophen-2-ylmethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 97443962
N-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 121556194
4-Methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine
CID 136554808
N-(cyclopropylmethyl)-N-methyl-5-[(2R)-oxolan-2-yl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine
CID 137993887
N-(cyclopropylmethyl)-5-[(2R)-oxolan-2-yl]-N-propyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-amine
CID 137993888
4-[5-[(2R)-1,4-dioxan-2-yl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2,2,6,6-tetramethylmorpholine
CID 164629919

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The IUPAC name of 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine (CID 136572941) is 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine.
What is the SMILES notation for 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The canonical SMILES for 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine is CC(C)C1CN(c2nnc(Cc3cccs3)n2C)CCO1.
What is the InChIKey of 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
The InChIKey is SAMZLHCWGGQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11(2)13-10-19(6-7-20-13)15-17-16-14(18(15)3)9-12-5-4-8-21-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3.
What are the key properties of 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine?
4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine has a molecular weight of 306.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine is sourced from PubChem (CID 136572941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).