1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol

C17H18N4O2 — CID 45202050

IUPAC1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
SMILESCOCC(O)CNc1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H18N4O2/c1-23-11-13(22)9-18-17-20-16(10-19-21-17)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,13,22H,9,11H2,1H3,(H,18,20,21)
InChIKeyMIKNNYKLORNWJG-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.11
Rot. Bonds6

About 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol

1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol (PubChem CID 45202050) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
PubChem CID45202050
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol
SMILESCOCC(O)CNc1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H18N4O2/c1-23-11-13(22)9-18-17-20-16(10-19-21-17)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,13,22H,9,11H2,1H3,(H,18,20,21)
InChIKeyMIKNNYKLORNWJG-UHFFFAOYSA-N
XLogP2.11
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol with MolForge

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Related Compounds

N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 70901598
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42402139
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42594644
1-[(2,3-dimethylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 75503246
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
3-[2-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]ethyl]-1,3-oxazolidin-2-one
CID 25292627
1-(anthracen-9-ylmethylamino)-3-methoxypropan-2-ol
CID 111425237
methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
CID 68651564
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756
3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine
CID 42362902
4-[(2-hydroxy-3-methoxypropyl)amino]cinnoline-3-carboxylic acid
CID 64623751
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol (CID 45202050) is 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol is COCC(O)CNc1nncc(-c2cccc3ccccc23)n1.
What is the InChIKey of 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol?
The InChIKey is MIKNNYKLORNWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-11-13(22)9-18-17-20-16(10-19-21-17)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,13,22H,9,11H2,1H3,(H,18,20,21).
What are the key properties of 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol?
1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol has a molecular weight of 310.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 45202050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).