2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline

C10H14N4O — CID 90135502

IUPAC2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline
SMILESCOc1c(N)cccc1C1=CN(C)NN1
InChIInChI=1S/C10H14N4O/c1-14-6-9(12-13-14)7-4-3-5-8(11)10(7)15-2/h3-6,12-13H,11H2,1-2H3
InChIKeyAMVDOQRPYTZUEG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.53
Rot. Bonds2

About 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline

2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline (PubChem CID 90135502) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline.

Molecular Properties

Compound Name2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline
PubChem CID90135502
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline
SMILESCOc1c(N)cccc1C1=CN(C)NN1
InChIInChI=1S/C10H14N4O/c1-14-6-9(12-13-14)7-4-3-5-8(11)10(7)15-2/h3-6,12-13H,11H2,1-2H3
InChIKeyAMVDOQRPYTZUEG-UHFFFAOYSA-N
XLogP0.53
TPSA62.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline?
The IUPAC name of 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline (CID 90135502) is 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline.
What is the SMILES notation for 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline?
The canonical SMILES for 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline is COc1c(N)cccc1C1=CN(C)NN1.
What is the InChIKey of 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline?
The InChIKey is AMVDOQRPYTZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14-6-9(12-13-14)7-4-3-5-8(11)10(7)15-2/h3-6,12-13H,11H2,1-2H3.
What are the key properties of 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline?
2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline has a molecular weight of 206.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methyl-1,2-dihydrotriazol-5-yl)aniline is sourced from PubChem (CID 90135502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).