N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine

C11H14N4OS — CID 66265163

IUPACN-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCNC1COCC1c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C11H14N4OS/c1-12-8-6-16-5-7(8)10-13-11(15-14-10)9-3-2-4-17-9/h2-4,7-8,12H,5-6H2,1H3,(H,13,14,15)
InChIKeySCRVPMOEWZOYTF-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.24
Rot. Bonds3

About N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine

N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (PubChem CID 66265163) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
PubChem CID66265163
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCNC1COCC1c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C11H14N4OS/c1-12-8-6-16-5-7(8)10-13-11(15-14-10)9-3-2-4-17-9/h2-4,7-8,12H,5-6H2,1H3,(H,13,14,15)
InChIKeySCRVPMOEWZOYTF-UHFFFAOYSA-N
XLogP1.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The IUPAC name of N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (CID 66265163) is N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.
What is the SMILES notation for N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The canonical SMILES for N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is CNC1COCC1c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The InChIKey is SCRVPMOEWZOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-12-8-6-16-5-7(8)10-13-11(15-14-10)9-3-2-4-17-9/h2-4,7-8,12H,5-6H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine has a molecular weight of 250.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).