8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H24BrN5O2 — CID 42618202

IUPAC8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Br)c(C)nn12
InChIInChI=1S/C19H24BrN5O2/c1-7-24(8-2)19-22-12(4)21-18-17(11(3)23-25(18)19)13-9-15(26-5)16(27-6)10-14(13)20/h9-10H,7-8H2,1-6H3
InChIKeyUQOLDSLJSVLEGP-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.03
Rot. Bonds6

About 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618202) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618202
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Br)c(C)nn12
InChIInChI=1S/C19H24BrN5O2/c1-7-24(8-2)19-22-12(4)21-18-17(11(3)23-25(18)19)13-9-15(26-5)16(27-6)10-14(13)20/h9-10H,7-8H2,1-6H3
InChIKeyUQOLDSLJSVLEGP-UHFFFAOYSA-N
XLogP4.03
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 42618218
N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 44591727
8-(2,6-dimethoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 44516784
8-(2,4-dichlorophenyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10715520
4-chloro-8-(4-methoxy-2,5-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 42640640
N-butyl-8-(4-methoxy-2,6-dimethylphenyl)-N,2,7-trimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 42618194
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 135356185
8-(3,4-dimethoxyphenyl)-2,7-dimethyl-N-(2-pyridin-4-ylethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 139468419
[8-(3,4-dimethoxyphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]azanide;4H-pyridin-4-ide;tungsten(2+)
CID 153428280
8-(3,4-dimethoxyphenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 145215545
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
CID 42639134
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618202) is 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Br)c(C)nn12.
What is the InChIKey of 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UQOLDSLJSVLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-7-24(8-2)19-22-12(4)21-18-17(11(3)23-25(18)19)13-9-15(26-5)16(27-6)10-14(13)20/h9-10H,7-8H2,1-6H3.
What are the key properties of 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 434.34 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-4,5-dimethoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).