[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone

C12H20N4O2 — CID 112744696

IUPAC[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
SMILESCCNC1COCC1C(=O)c1ncnn1C(C)C
InChIInChI=1S/C12H20N4O2/c1-4-13-10-6-18-5-9(10)11(17)12-14-7-15-16(12)8(2)3/h7-10,13H,4-6H2,1-3H3
InChIKeyWYJPUXBSIFIIGB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.67
Rot. Bonds5

About [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone (PubChem CID 112744696) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
PubChem CID112744696
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
SMILESCCNC1COCC1C(=O)c1ncnn1C(C)C
InChIInChI=1S/C12H20N4O2/c1-4-13-10-6-18-5-9(10)11(17)12-14-7-15-16(12)8(2)3/h7-10,13H,4-6H2,1-3H3
InChIKeyWYJPUXBSIFIIGB-UHFFFAOYSA-N
XLogP0.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone (CID 112744696) is [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone is CCNC1COCC1C(=O)c1ncnn1C(C)C.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
The InChIKey is WYJPUXBSIFIIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-13-10-6-18-5-9(10)11(17)12-14-7-15-16(12)8(2)3/h7-10,13H,4-6H2,1-3H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 112744696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).