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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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).