propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

C19H22N4O4 — CID 16585131

IUPACpropan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCOc1ccc(-c2c(C)nn3c(C)c(C(=O)OC(C)C)nnc23)cc1OC
InChIInChI=1S/C19H22N4O4/c1-10(2)27-19(24)17-12(4)23-18(21-20-17)16(11(3)22-23)13-7-8-14(25-5)15(9-13)26-6/h7-10H,1-6H3
InChIKeyHIVFJLCOJVUTMU-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.99
Rot. Bonds5

About propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (PubChem CID 16585131) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
PubChem CID16585131
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Namepropan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
SMILESCOc1ccc(-c2c(C)nn3c(C)c(C(=O)OC(C)C)nnc23)cc1OC
InChIInChI=1S/C19H22N4O4/c1-10(2)27-19(24)17-12(4)23-18(21-20-17)16(11(3)22-23)13-7-8-14(25-5)15(9-13)26-6/h7-10H,1-6H3
InChIKeyHIVFJLCOJVUTMU-UHFFFAOYSA-N
XLogP2.99
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The IUPAC name of propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate (CID 16585131) is propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The canonical SMILES for propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is COc1ccc(-c2c(C)nn3c(C)c(C(=O)OC(C)C)nnc23)cc1OC.
What is the InChIKey of propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
The InChIKey is HIVFJLCOJVUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-10(2)27-19(24)17-12(4)23-18(21-20-17)16(11(3)22-23)13-7-8-14(25-5)15(9-13)26-6/h7-10H,1-6H3.
What are the key properties of propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate?
propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 16585131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).