4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine

C16H18N6O — CID 126678943

IUPAC4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine
SMILESCn1nccc1-c1cccc(COc2cc(N)nc(N)c2N)c1
InChIInChI=1S/C16H18N6O/c1-22-12(5-6-20-22)11-4-2-3-10(7-11)9-23-13-8-14(17)21-16(19)15(13)18/h2-8H,9,18H2,1H3,(H4,17,19,21)
InChIKeyQCBMOUJWUQTLNR-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.81
Rot. Bonds4

About 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine

4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine (PubChem CID 126678943) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine
PubChem CID126678943
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine
SMILESCn1nccc1-c1cccc(COc2cc(N)nc(N)c2N)c1
InChIInChI=1S/C16H18N6O/c1-22-12(5-6-20-22)11-4-2-3-10(7-11)9-23-13-8-14(17)21-16(19)15(13)18/h2-8H,9,18H2,1H3,(H4,17,19,21)
InChIKeyQCBMOUJWUQTLNR-UHFFFAOYSA-N
XLogP1.81
TPSA118.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylmethoxypyridine-2,3,6-triamine;dihydrochloride
CID 131854935
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
2-[3-(2-methylpyrazol-3-yl)phenyl]ethanol
CID 171393091
6-[3-(2-methylpyrazol-3-yl)phenyl]pyrazin-2-amine
CID 163308229
4-[[3-(2-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678935
4-[[2-(butylideneamino)-3-methylphenyl]methoxy]pyridine-2,3,6-triamine
CID 145039447
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486
4-[3-(2-methylpyrazol-3-yl)phenoxy]butanoic acid
CID 146135655
4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
CID 91618945
7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
3-(2-methylpyrazol-3-yl)benzoate
CID 42556015
methyl 3-[(3,6-diamino-2-hydrazinyl-4-pyridinyl)oxymethyl]benzoate
CID 126680550

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine?
The IUPAC name of 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine (CID 126678943) is 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine is Cn1nccc1-c1cccc(COc2cc(N)nc(N)c2N)c1.
What is the InChIKey of 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine?
The InChIKey is QCBMOUJWUQTLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22-12(5-6-20-22)11-4-2-3-10(7-11)9-23-13-8-14(17)21-16(19)15(13)18/h2-8H,9,18H2,1H3,(H4,17,19,21).
What are the key properties of 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine?
4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine has a molecular weight of 310.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpyrazol-3-yl)phenyl]methoxy]pyridine-2,3,6-triamine is sourced from PubChem (CID 126678943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).