1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine

C29H29N5O7 — CID 25268940

IUPAC1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
SMILESCOc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4cc(OC)c(OC)c(OC)c4)nnc32)c1
InChIInChI=1S/C29H29N5O7/c1-35-19-10-8-9-18(15-19)34-29-25(24(33-34)16-11-20(36-2)26(40-6)21(12-16)37-3)30-28(31-32-29)17-13-22(38-4)27(41-7)23(14-17)39-5/h8-15H,1-7H3
InChIKeyHSASDTNHFRHAQV-UHFFFAOYSA-N
MW559.58 g/mol
LogP4.60
Rot. Bonds10

About 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine

1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine (PubChem CID 25268940) has the molecular formula C29H29N5O7 and a molecular weight of 559.58 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
PubChem CID25268940
Molecular FormulaC29H29N5O7
Molecular Weight559.58 g/mol
Exact Mass559.21
IUPAC Name1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
SMILESCOc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4cc(OC)c(OC)c(OC)c4)nnc32)c1
InChIInChI=1S/C29H29N5O7/c1-35-19-10-8-9-18(15-19)34-29-25(24(33-34)16-11-20(36-2)26(40-6)21(12-16)37-3)30-28(31-32-29)17-13-22(38-4)27(41-7)23(14-17)39-5/h8-15H,1-7H3
InChIKeyHSASDTNHFRHAQV-UHFFFAOYSA-N
XLogP4.60
TPSA121.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.58
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The IUPAC name of 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine (CID 25268940) is 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The canonical SMILES for 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine is COc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4cc(OC)c(OC)c(OC)c4)nnc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The InChIKey is HSASDTNHFRHAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O7/c1-35-19-10-8-9-18(15-19)34-29-25(24(33-34)16-11-20(36-2)26(40-6)21(12-16)37-3)30-28(31-32-29)17-13-22(38-4)27(41-7)23(14-17)39-5/h8-15H,1-7H3.
What are the key properties of 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine has a molecular weight of 559.58 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 25268940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).