1-(5-methoxy-1H-indazol-3-yl)benzotriazole

C14H11N5O — CID 45104175

IUPAC1-(5-methoxy-1H-indazol-3-yl)benzotriazole
SMILESCOc1ccc2[nH]nc(-n3nnc4ccccc43)c2c1
InChIInChI=1S/C14H11N5O/c1-20-9-6-7-11-10(8-9)14(17-15-11)19-13-5-3-2-4-12(13)16-18-19/h2-8H,1H3,(H,15,17)
InChIKeyLZAKIWMQIHAUHU-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.31
Rot. Bonds2

About 1-(5-methoxy-1H-indazol-3-yl)benzotriazole

1-(5-methoxy-1H-indazol-3-yl)benzotriazole (PubChem CID 45104175) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indazol-3-yl)benzotriazole.

Molecular Properties

Compound Name1-(5-methoxy-1H-indazol-3-yl)benzotriazole
PubChem CID45104175
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name1-(5-methoxy-1H-indazol-3-yl)benzotriazole
SMILESCOc1ccc2[nH]nc(-n3nnc4ccccc43)c2c1
InChIInChI=1S/C14H11N5O/c1-20-9-6-7-11-10(8-9)14(17-15-11)19-13-5-3-2-4-12(13)16-18-19/h2-8H,1H3,(H,15,17)
InChIKeyLZAKIWMQIHAUHU-UHFFFAOYSA-N
XLogP2.31
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indazol-3-yl)benzotriazole
CID 45104174
1-(5-bromo-1H-indazol-3-yl)benzotriazole
CID 45104177
4-(benzotriazol-1-yl)-6-methoxy-2-methylquinoline
CID 110435993
1-(2-methoxyphenyl)benzotriazole
CID 53415460
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463
2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole
CID 58624862
4-(benzotriazol-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139045
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
2-(benzotriazol-1-yl)-4,5-dimethoxybenzaldehyde
CID 155936683
5-methoxy-3-(1H-pyrazol-4-yl)-1H-indazole
CID 136964363
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
11-(benzotriazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-2-thia-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,9,11,13,15-octaen-10-amine
CID 11049782

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indazol-3-yl)benzotriazole?
The IUPAC name of 1-(5-methoxy-1H-indazol-3-yl)benzotriazole (CID 45104175) is 1-(5-methoxy-1H-indazol-3-yl)benzotriazole.
What is the SMILES notation for 1-(5-methoxy-1H-indazol-3-yl)benzotriazole?
The canonical SMILES for 1-(5-methoxy-1H-indazol-3-yl)benzotriazole is COc1ccc2[nH]nc(-n3nnc4ccccc43)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indazol-3-yl)benzotriazole?
The InChIKey is LZAKIWMQIHAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-20-9-6-7-11-10(8-9)14(17-15-11)19-13-5-3-2-4-12(13)16-18-19/h2-8H,1H3,(H,15,17).
What are the key properties of 1-(5-methoxy-1H-indazol-3-yl)benzotriazole?
1-(5-methoxy-1H-indazol-3-yl)benzotriazole has a molecular weight of 265.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indazol-3-yl)benzotriazole is sourced from PubChem (CID 45104175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).