5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine

C17H20N6O — CID 45247586

IUPAC5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(-c2cnnc(NC(C)CCn3cccn3)n2)c1
InChIInChI=1S/C17H20N6O/c1-13(7-10-23-9-4-8-19-23)20-17-21-16(12-18-22-17)14-5-3-6-15(11-14)24-2/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,20,21,22)
InChIKeyYCSZGPLZODHLRJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.63
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine

5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine (PubChem CID 45247586) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine
PubChem CID45247586
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(-c2cnnc(NC(C)CCn3cccn3)n2)c1
InChIInChI=1S/C17H20N6O/c1-13(7-10-23-9-4-8-19-23)20-17-21-16(12-18-22-17)14-5-3-6-15(11-14)24-2/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,20,21,22)
InChIKeyYCSZGPLZODHLRJ-UHFFFAOYSA-N
XLogP2.63
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444030
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 70750427
3-(3-methoxyphenyl)-4-methyl-5-(2-pyrazol-1-ylethylsulfanyl)-1,2,4-triazole
CID 47502217
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3-(1H-1,2,4-triazol-5-yl)aniline
CID 97342089
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61491656
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
(3S)-7-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,4-dihydro-2H-chromen-3-amine
CID 97342077
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine (CID 45247586) is 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine is COc1cccc(-c2cnnc(NC(C)CCn3cccn3)n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is YCSZGPLZODHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13(7-10-23-9-4-8-19-23)20-17-21-16(12-18-22-17)14-5-3-6-15(11-14)24-2/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,20,21,22).
What are the key properties of 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine?
5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 324.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 45247586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).