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

C13H18N4OS — CID 66253142

IUPACN-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-10-8-18-7-9(10)12-15-13(17-16-12)11-4-3-6-19-11/h3-4,6,9-10,14H,2,5,7-8H2,1H3,(H,15,16,17)
InChIKeyDJBQNZXENUAMSG-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.02
Rot. Bonds5

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

N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (PubChem CID 66253142) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
PubChem CID66253142
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-10-8-18-7-9(10)12-15-13(17-16-12)11-4-3-6-19-11/h3-4,6,9-10,14H,2,5,7-8H2,1H3,(H,15,16,17)
InChIKeyDJBQNZXENUAMSG-UHFFFAOYSA-N
XLogP2.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The IUPAC name of N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine (CID 66253142) is N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine.
What is the SMILES notation for N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The canonical SMILES for N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is CCCNC1COCC1c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
The InChIKey is DJBQNZXENUAMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-5-14-10-8-18-7-9(10)12-15-13(17-16-12)11-4-3-6-19-11/h3-4,6,9-10,14H,2,5,7-8H2,1H3,(H,15,16,17).
What are the key properties of N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine?
N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine has a molecular weight of 278.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66253142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).