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

C12H16N4OS — CID 66247671

IUPACN-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCCNC1COCC1c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C12H16N4OS/c1-2-13-9-7-17-6-8(9)11-14-12(16-15-11)10-4-3-5-18-10/h3-5,8-9,13H,2,6-7H2,1H3,(H,14,15,16)
InChIKeyMNAPJXVYXUZCGO-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.63
Rot. Bonds4

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

N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (PubChem CID 66247671) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
PubChem CID66247671
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCCNC1COCC1c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C12H16N4OS/c1-2-13-9-7-17-6-8(9)11-14-12(16-15-11)10-4-3-5-18-10/h3-5,8-9,13H,2,6-7H2,1H3,(H,14,15,16)
InChIKeyMNAPJXVYXUZCGO-UHFFFAOYSA-N
XLogP1.63
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The IUPAC name of N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (CID 66247671) is N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The canonical SMILES for N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is CCNC1COCC1c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The InChIKey is MNAPJXVYXUZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-13-9-7-17-6-8(9)11-14-12(16-15-11)10-4-3-5-18-10/h3-5,8-9,13H,2,6-7H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine has a molecular weight of 264.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66247671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).