N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H31N5O — CID 44591727

IUPACN-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H31N5O/c1-8-10-11-26(9-2)22-24-17(6)23-21-20(16(5)25-27(21)22)19-14(3)12-18(28-7)13-15(19)4/h12-13H,8-11H2,1-7H3
InChIKeyPJPVUAHUDDHUDN-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.66
Rot. Bonds7

About N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 44591727) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID44591727
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H31N5O/c1-8-10-11-26(9-2)22-24-17(6)23-21-20(16(5)25-27(21)22)19-14(3)12-18(28-7)13-15(19)4/h12-13H,8-11H2,1-7H3
InChIKeyPJPVUAHUDDHUDN-UHFFFAOYSA-N
XLogP4.66
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 44591727) is N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3C)c(C)nn12.
What is the InChIKey of N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is PJPVUAHUDDHUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-8-10-11-26(9-2)22-24-17(6)23-21-20(16(5)25-27(21)22)19-14(3)12-18(28-7)13-15(19)4/h12-13H,8-11H2,1-7H3.
What are the key properties of N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 381.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-8-(4-methoxy-2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 44591727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).