(2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate

C18H13ClN4O3 — CID 10970647

IUPAC(2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate
SMILESCOc1ccccc1COC(=O)c1cnn2c1nnc1ccc(Cl)cc12
InChIInChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3
InChIKeyOJLYUGSSUKAWJC-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.30
Rot. Bonds4

About (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate

(2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate (PubChem CID 10970647) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate
PubChem CID10970647
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC Name(2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate
SMILESCOc1ccccc1COC(=O)c1cnn2c1nnc1ccc(Cl)cc12
InChIInChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3
InChIKeyOJLYUGSSUKAWJC-UHFFFAOYSA-N
XLogP3.30
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate (CID 10970647) is (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate is COc1ccccc1COC(=O)c1cnn2c1nnc1ccc(Cl)cc12.
What is the InChIKey of (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate?
The InChIKey is OJLYUGSSUKAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c1-25-16-5-3-2-4-11(16)10-26-18(24)13-9-20-23-15-8-12(19)6-7-14(15)21-22-17(13)23/h2-9H,10H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate?
(2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate has a molecular weight of 368.78 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine-3-carboxylate is sourced from PubChem (CID 10970647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).