5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine

C16H18N6O2 — CID 42507959

IUPAC5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(OC)c1-c1cnnc(NCCn2cccn2)n1
InChIInChI=1S/C16H18N6O2/c1-23-13-5-3-6-14(24-2)15(13)12-11-18-21-16(20-12)17-8-10-22-9-4-7-19-22/h3-7,9,11H,8,10H2,1-2H3,(H,17,20,21)
InChIKeySXMHLSHPZQADLI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.86
Rot. Bonds7

About 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine

5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 42507959) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
PubChem CID42507959
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(OC)c1-c1cnnc(NCCn2cccn2)n1
InChIInChI=1S/C16H18N6O2/c1-23-13-5-3-6-14(24-2)15(13)12-11-18-21-16(20-12)17-8-10-22-9-4-7-19-22/h3-7,9,11H,8,10H2,1-2H3,(H,17,20,21)
InChIKeySXMHLSHPZQADLI-UHFFFAOYSA-N
XLogP1.86
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 42198281
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
CID 26330376
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 68562270
5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine
CID 45247586
2-N-ethyl-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808931
4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine
CID 80896292
5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 68563776
3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine
CID 114999031
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine (CID 42507959) is 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine is COc1cccc(OC)c1-c1cnnc(NCCn2cccn2)n1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is SXMHLSHPZQADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-23-13-5-3-6-14(24-2)15(13)12-11-18-21-16(20-12)17-8-10-22-9-4-7-19-22/h3-7,9,11H,8,10H2,1-2H3,(H,17,20,21).
What are the key properties of 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 326.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42507959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).