3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline

C15H18N4O — CID 144783810

IUPAC3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
SMILESCNc1cccc(C2CC2)c1COc1nncnc1C
InChIInChI=1S/C15H18N4O/c1-10-15(19-18-9-17-10)20-8-13-12(11-6-7-11)4-3-5-14(13)16-2/h3-5,9,11,16H,6-8H2,1-2H3
InChIKeySHPXISRTDZKVCP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.68
Rot. Bonds5

About 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline

3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline (PubChem CID 144783810) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
PubChem CID144783810
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline
SMILESCNc1cccc(C2CC2)c1COc1nncnc1C
InChIInChI=1S/C15H18N4O/c1-10-15(19-18-9-17-10)20-8-13-12(11-6-7-11)4-3-5-14(13)16-2/h3-5,9,11,16H,6-8H2,1-2H3
InChIKeySHPXISRTDZKVCP-UHFFFAOYSA-N
XLogP2.68
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
The IUPAC name of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline (CID 144783810) is 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline.
What is the SMILES notation for 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
The canonical SMILES for 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline is CNc1cccc(C2CC2)c1COc1nncnc1C.
What is the InChIKey of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
The InChIKey is SHPXISRTDZKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-15(19-18-9-17-10)20-8-13-12(11-6-7-11)4-3-5-14(13)16-2/h3-5,9,11,16H,6-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline?
3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline has a molecular weight of 270.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-2-[(5-methyl-1,2,4-triazin-6-yl)oxymethyl]aniline is sourced from PubChem (CID 144783810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).