2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine

C13H20N4O2 — CID 106598135

IUPAC2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine
SMILESCn1cnc(OCc2occc2CNC(C)(C)C)n1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)15-7-10-5-6-18-11(10)8-19-12-14-9-17(4)16-12/h5-6,9,15H,7-8H2,1-4H3
InChIKeyCIEMYXHNANPKHF-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 106598135) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine
PubChem CID106598135
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine
SMILESCn1cnc(OCc2occc2CNC(C)(C)C)n1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)15-7-10-5-6-18-11(10)8-19-12-14-9-17(4)16-12/h5-6,9,15H,7-8H2,1-4H3
InChIKeyCIEMYXHNANPKHF-UHFFFAOYSA-N
XLogP1.88
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine (CID 106598135) is 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine is Cn1cnc(OCc2occc2CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is CIEMYXHNANPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)15-7-10-5-6-18-11(10)8-19-12-14-9-17(4)16-12/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106598135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).