3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol

C14H11ClN4O — CID 11507510

IUPAC3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol
SMILESCc1cc(-c2cc(O)ccc2Cl)cc2nnc(N)nc12
InChIInChI=1S/C14H11ClN4O/c1-7-4-8(10-6-9(20)2-3-11(10)15)5-12-13(7)17-14(16)19-18-12/h2-6,20H,1H3,(H2,16,17,19)
InChIKeyWGOCYFJXNFKHER-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.94
Rot. Bonds1

About 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol

3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol (PubChem CID 11507510) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol.

Molecular Properties

Compound Name3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol
PubChem CID11507510
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol
SMILESCc1cc(-c2cc(O)ccc2Cl)cc2nnc(N)nc12
InChIInChI=1S/C14H11ClN4O/c1-7-4-8(10-6-9(20)2-3-11(10)15)5-12-13(7)17-14(16)19-18-12/h2-6,20H,1H3,(H2,16,17,19)
InChIKeyWGOCYFJXNFKHER-UHFFFAOYSA-N
XLogP2.94
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol?
The IUPAC name of 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol (CID 11507510) is 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol.
What is the SMILES notation for 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol?
The canonical SMILES for 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol is Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(N)nc12.
What is the InChIKey of 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol?
The InChIKey is WGOCYFJXNFKHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-7-4-8(10-6-9(20)2-3-11(10)15)5-12-13(7)17-14(16)19-18-12/h2-6,20H,1H3,(H2,16,17,19).
What are the key properties of 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol?
3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol has a molecular weight of 286.72 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol is sourced from PubChem (CID 11507510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).