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

C29H29N5O7 — CID 25271336

IUPAC1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
SMILESCOc1ccccc1-n1nc(-c2cc(OC)c(OC)c(OC)c2)c2nc(-c3cc(OC)c(OC)c(OC)c3)nnc21
InChIInChI=1S/C29H29N5O7/c1-35-19-11-9-8-10-18(19)34-29-25(24(33-34)16-12-20(36-2)26(40-6)21(13-16)37-3)30-28(31-32-29)17-14-22(38-4)27(41-7)23(15-17)39-5/h8-15H,1-7H3
InChIKeyKLGHDESJEVRYEH-UHFFFAOYSA-N
MW559.58 g/mol
LogP4.60
Rot. Bonds10

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

1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine (PubChem CID 25271336) has the molecular formula C29H29N5O7 and a molecular weight of 559.58 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
PubChem CID25271336
Molecular FormulaC29H29N5O7
Molecular Weight559.58 g/mol
Exact Mass559.21
IUPAC Name1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
SMILESCOc1ccccc1-n1nc(-c2cc(OC)c(OC)c(OC)c2)c2nc(-c3cc(OC)c(OC)c(OC)c3)nnc21
InChIInChI=1S/C29H29N5O7/c1-35-19-11-9-8-10-18(19)34-29-25(24(33-34)16-12-20(36-2)26(40-6)21(13-16)37-3)30-28(31-32-29)17-14-22(38-4)27(41-7)23(15-17)39-5/h8-15H,1-7H3
InChIKeyKLGHDESJEVRYEH-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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Related Compounds

1-(3-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
CID 25268940
2-[3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazol-1-yl]benzonitrile
CID 4032875
1-(2-bromophenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3981334
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine
CID 606351
1-(2-ethylphenyl)-3-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4312974
5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 118256420
4-nitroso-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 90435743
2-[3-quinolin-8-yl-5-(3,4,5-trimethoxyphenyl)tetrazol-2-ium-2-yl]benzo[e][1,3]benzothiazole
CID 67759064
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
5-phenyl-1-(trifluoromethyl)-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 140579525

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The IUPAC name of 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine (CID 25271336) is 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The canonical SMILES for 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine is COc1ccccc1-n1nc(-c2cc(OC)c(OC)c(OC)c2)c2nc(-c3cc(OC)c(OC)c(OC)c3)nnc21.
What is the InChIKey of 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
The InChIKey is KLGHDESJEVRYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O7/c1-35-19-11-9-8-10-18(19)34-29-25(24(33-34)16-12-20(36-2)26(40-6)21(13-16)37-3)30-28(31-32-29)17-14-22(38-4)27(41-7)23(15-17)39-5/h8-15H,1-7H3.
What are the key properties of 1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine?
1-(2-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-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 25271336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).