4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine

C11H20N4O — CID 66253911

IUPAC4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nnc(C)n1C
InChIInChI=1S/C11H20N4O/c1-4-5-12-10-7-16-6-9(10)11-14-13-8(2)15(11)3/h9-10,12H,4-7H2,1-3H3
InChIKeySXSRBOUISQAXNB-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.61
Rot. Bonds4

About 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine

4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine (PubChem CID 66253911) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine
PubChem CID66253911
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nnc(C)n1C
InChIInChI=1S/C11H20N4O/c1-4-5-12-10-7-16-6-9(10)11-14-13-8(2)15(11)3/h9-10,12H,4-7H2,1-3H3
InChIKeySXSRBOUISQAXNB-UHFFFAOYSA-N
XLogP0.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine (CID 66253911) is 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nnc(C)n1C.
What is the InChIKey of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine?
The InChIKey is SXSRBOUISQAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-12-10-7-16-6-9(10)11-14-13-8(2)15(11)3/h9-10,12H,4-7H2,1-3H3.
What are the key properties of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine?
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine has a molecular weight of 224.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-propyloxolan-3-amine is sourced from PubChem (CID 66253911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).