2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine

C14H18N4O — CID 82727759

IUPAC2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine
SMILESCC1OCCC1Nc1ccccc1-c1nncn1C
InChIInChI=1S/C14H18N4O/c1-10-12(7-8-19-10)16-13-6-4-3-5-11(13)14-17-15-9-18(14)2/h3-6,9-10,12,16H,7-8H2,1-2H3
InChIKeyOZDUXBLDAVTICL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine

2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine (PubChem CID 82727759) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine
PubChem CID82727759
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine
SMILESCC1OCCC1Nc1ccccc1-c1nncn1C
InChIInChI=1S/C14H18N4O/c1-10-12(7-8-19-10)16-13-6-4-3-5-11(13)14-17-15-9-18(14)2/h3-6,9-10,12,16H,7-8H2,1-2H3
InChIKeyOZDUXBLDAVTICL-UHFFFAOYSA-N
XLogP2.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine (CID 82727759) is 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine is CC1OCCC1Nc1ccccc1-c1nncn1C.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine?
The InChIKey is OZDUXBLDAVTICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12(7-8-19-10)16-13-6-4-3-5-11(13)14-17-15-9-18(14)2/h3-6,9-10,12,16H,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine?
2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolan-3-amine is sourced from PubChem (CID 82727759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).