8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C18H21ClFN5O — CID 42618198

IUPAC8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12
InChIInChI=1S/C18H21ClFN5O/c1-6-24(7-2)18-22-11(4)21-17-16(10(3)23-25(17)18)12-8-14(20)15(26-5)9-13(12)19/h8-9H,6-7H2,1-5H3
InChIKeyXAUQZVAXSGENNV-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.06
Rot. Bonds5

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

8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618198) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618198
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCN(CC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12
InChIInChI=1S/C18H21ClFN5O/c1-6-24(7-2)18-22-11(4)21-17-16(10(3)23-25(17)18)12-8-14(20)15(26-5)9-13(12)19/h8-9H,6-7H2,1-5H3
InChIKeyXAUQZVAXSGENNV-UHFFFAOYSA-N
XLogP4.06
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618198) is 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCN(CC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12.
What is the InChIKey of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is XAUQZVAXSGENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O/c1-6-24(7-2)18-22-11(4)21-17-16(10(3)23-25(17)18)12-8-14(20)15(26-5)9-13(12)19/h8-9H,6-7H2,1-5H3.
What are the key properties of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 377.85 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-diethyl-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).