(5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone

C10H15BrN4O2 — CID 106464190

IUPAC(5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H15BrN4O2/c1-3-12-7-5-17-4-6(7)9(16)8-10(11)13-14-15(8)2/h6-7,12H,3-5H2,1-2H3
InChIKeyWFFPRPFRXXMEBF-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.38
Rot. Bonds4

About (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone

(5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone (PubChem CID 106464190) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone
PubChem CID106464190
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H15BrN4O2/c1-3-12-7-5-17-4-6(7)9(16)8-10(11)13-14-15(8)2/h6-7,12H,3-5H2,1-2H3
InChIKeyWFFPRPFRXXMEBF-UHFFFAOYSA-N
XLogP0.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone (CID 106464190) is (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone is CCNC1COCC1C(=O)c1c(Br)nnn1C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
The InChIKey is WFFPRPFRXXMEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-3-12-7-5-17-4-6(7)9(16)8-10(11)13-14-15(8)2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
(5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone has a molecular weight of 303.16 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-[4-(ethylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 106464190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).