3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine

C11H9N5 — CID 142065994

IUPAC3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine
SMILESCc1ccc2nc(-n3ccnc3)nnc2c1
InChIInChI=1S/C11H9N5/c1-8-2-3-9-10(6-8)14-15-11(13-9)16-5-4-12-7-16/h2-7H,1H3
InChIKeyFAROASPUKAVBSK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.52
Rot. Bonds1

About 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine

3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine (PubChem CID 142065994) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine
PubChem CID142065994
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine
SMILESCc1ccc2nc(-n3ccnc3)nnc2c1
InChIInChI=1S/C11H9N5/c1-8-2-3-9-10(6-8)14-15-11(13-9)16-5-4-12-7-16/h2-7H,1H3
InChIKeyFAROASPUKAVBSK-UHFFFAOYSA-N
XLogP1.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
7-methyl-3-(4-methylphenyl)-1,2,4-benzotriazine
CID 12759616
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
CID 62870863
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886142
3-imidazol-1-yl-1,2,4,5-tetrazine
CID 86097321
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141185333
2-imidazol-1-yl-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carbaldehyde
CID 155598579

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine?
The IUPAC name of 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine (CID 142065994) is 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine.
What is the SMILES notation for 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine?
The canonical SMILES for 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine is Cc1ccc2nc(-n3ccnc3)nnc2c1.
What is the InChIKey of 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine?
The InChIKey is FAROASPUKAVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-8-2-3-9-10(6-8)14-15-11(13-9)16-5-4-12-7-16/h2-7H,1H3.
What are the key properties of 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine?
3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine has a molecular weight of 211.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-7-methyl-1,2,4-benzotriazine is sourced from PubChem (CID 142065994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).