4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline

C13H20N4O — CID 142742094

IUPAC4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2C=NN(C)CC2)ccc1N
InChIInChI=1S/C13H20N4O/c1-10(2)18-13-8-11(4-5-12(13)14)17-7-6-16(3)15-9-17/h4-5,8-10H,6-7,14H2,1-3H3
InChIKeyRJVOAXJBAKCCDQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds3

About 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline

4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline (PubChem CID 142742094) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline
PubChem CID142742094
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2C=NN(C)CC2)ccc1N
InChIInChI=1S/C13H20N4O/c1-10(2)18-13-8-11(4-5-12(13)14)17-7-6-16(3)15-9-17/h4-5,8-10H,6-7,14H2,1-3H3
InChIKeyRJVOAXJBAKCCDQ-UHFFFAOYSA-N
XLogP1.75
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
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 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline (CID 142742094) is 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2C=NN(C)CC2)ccc1N.
What is the InChIKey of 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline?
The InChIKey is RJVOAXJBAKCCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)18-13-8-11(4-5-12(13)14)17-7-6-16(3)15-9-17/h4-5,8-10H,6-7,14H2,1-3H3.
What are the key properties of 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline?
4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline has a molecular weight of 248.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 142742094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).