N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine

C12H24N4O — CID 103227464

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)n1nc(C)nc1C
InChIInChI=1S/C12H24N4O/c1-9(2)6-13-7-12(8-17-5)16-11(4)14-10(3)15-16/h9,12-13H,6-8H2,1-5H3
InChIKeyHRYYDKTYIXFKIL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds7

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103227464) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103227464
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)n1nc(C)nc1C
InChIInChI=1S/C12H24N4O/c1-9(2)6-13-7-12(8-17-5)16-11(4)14-10(3)15-16/h9,12-13H,6-8H2,1-5H3
InChIKeyHRYYDKTYIXFKIL-UHFFFAOYSA-N
XLogP1.33
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103227464) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)n1nc(C)nc1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is HRYYDKTYIXFKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(2)6-13-7-12(8-17-5)16-11(4)14-10(3)15-16/h9,12-13H,6-8H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103227464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).