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

C9H18N4O — CID 107506155

IUPAC1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cn1nc(C)nc1C
InChIInChI=1S/C9H18N4O/c1-7-11-8(2)13(12-7)5-9(10-3)6-14-4/h9-10H,5-6H2,1-4H3
InChIKeyFKQJMEKQPSTNJJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.13
Rot. Bonds5

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

1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 107506155) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine
PubChem CID107506155
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)Cn1nc(C)nc1C
InChIInChI=1S/C9H18N4O/c1-7-11-8(2)13(12-7)5-9(10-3)6-14-4/h9-10H,5-6H2,1-4H3
InChIKeyFKQJMEKQPSTNJJ-UHFFFAOYSA-N
XLogP0.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine (CID 107506155) is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)Cn1nc(C)nc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is FKQJMEKQPSTNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7-11-8(2)13(12-7)5-9(10-3)6-14-4/h9-10H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine?
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 198.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107506155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).