7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine

C19H13Cl2N5 — CID 11523787

IUPAC7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
SMILESCc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccncc3)nc12
InChIInChI=1S/C19H13Cl2N5/c1-11-9-12(17-14(20)3-2-4-15(17)21)10-16-18(11)24-19(26-25-16)23-13-5-7-22-8-6-13/h2-10H,1H3,(H,22,23,24,26)
InChIKeyODSUGJKWJKAXHT-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.45
Rot. Bonds3

About 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine

7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine (PubChem CID 11523787) has the molecular formula C19H13Cl2N5 and a molecular weight of 382.25 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
PubChem CID11523787
Molecular FormulaC19H13Cl2N5
Molecular Weight382.25 g/mol
Exact Mass381.05
IUPAC Name7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
SMILESCc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccncc3)nc12
InChIInChI=1S/C19H13Cl2N5/c1-11-9-12(17-14(20)3-2-4-15(17)21)10-16-18(11)24-19(26-25-16)23-13-5-7-22-8-6-13/h2-10H,1H3,(H,22,23,24,26)
InChIKeyODSUGJKWJKAXHT-UHFFFAOYSA-N
XLogP5.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine (CID 11523787) is 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine is Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccncc3)nc12.
What is the InChIKey of 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
The InChIKey is ODSUGJKWJKAXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5/c1-11-9-12(17-14(20)3-2-4-15(17)21)10-16-18(11)24-19(26-25-16)23-13-5-7-22-8-6-13/h2-10H,1H3,(H,22,23,24,26).
What are the key properties of 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine has a molecular weight of 382.25 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 11523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).