8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C22H31N5O4 — CID 42618204

IUPAC8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H31N5O4/c1-14-12-18(30-6)19(31-7)13-17(14)20-15(2)25-27-21(20)23-16(3)24-22(27)26(8-10-28-4)9-11-29-5/h12-13H,8-11H2,1-7H3
InChIKeyVXCFEQGZMZPSPX-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.83
Rot. Bonds10

About 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618204) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618204
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3C)c(C)nn12
InChIInChI=1S/C22H31N5O4/c1-14-12-18(30-6)19(31-7)13-17(14)20-15(2)25-27-21(20)23-16(3)24-22(27)26(8-10-28-4)9-11-29-5/h12-13H,8-11H2,1-7H3
InChIKeyVXCFEQGZMZPSPX-UHFFFAOYSA-N
XLogP2.83
TPSA83.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618204) is 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CCOC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3C)c(C)nn12.
What is the InChIKey of 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is VXCFEQGZMZPSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-14-12-18(30-6)19(31-7)13-17(14)20-15(2)25-27-21(20)23-16(3)24-22(27)26(8-10-28-4)9-11-29-5/h12-13H,8-11H2,1-7H3.
What are the key properties of 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 429.52 g/mol, XLogP of 2.83, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5-dimethoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).