(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H24N4O — CID 105038887

IUPAC(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCCn1nncc1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24N4O/c1-5-6-17-11(7-15-16-17)13(14)12-8(2)9(3)18-10(12)4/h7-10,12-13H,5-6,14H2,1-4H3
InChIKeyULJHNBWLNSMPAR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds4

About (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105038887) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105038887
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCCn1nncc1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C13H24N4O/c1-5-6-17-11(7-15-16-17)13(14)12-8(2)9(3)18-10(12)4/h7-10,12-13H,5-6,14H2,1-4H3
InChIKeyULJHNBWLNSMPAR-UHFFFAOYSA-N
XLogP1.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105038887) is (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is CCCn1nncc1C(N)C1C(C)OC(C)C1C.
What is the InChIKey of (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is ULJHNBWLNSMPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-17-11(7-15-16-17)13(14)12-8(2)9(3)18-10(12)4/h7-10,12-13H,5-6,14H2,1-4H3.
What are the key properties of (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105038887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).