6-methoxy-2H-benzotriazole-5-carboxamide

C8H8N4O2 — CID 21223386

IUPAC6-methoxy-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(N)=O
InChIInChI=1S/C8H8N4O2/c1-14-7-3-6-5(10-12-11-6)2-4(7)8(9)13/h2-3H,1H3,(H2,9,13)(H,10,11,12)
InChIKeyRPAHKVOVIOEJND-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.07
Rot. Bonds2

About 6-methoxy-2H-benzotriazole-5-carboxamide

6-methoxy-2H-benzotriazole-5-carboxamide (PubChem CID 21223386) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6-methoxy-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound Name6-methoxy-2H-benzotriazole-5-carboxamide
PubChem CID21223386
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name6-methoxy-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(N)=O
InChIInChI=1S/C8H8N4O2/c1-14-7-3-6-5(10-12-11-6)2-4(7)8(9)13/h2-3H,1H3,(H2,9,13)(H,10,11,12)
InChIKeyRPAHKVOVIOEJND-UHFFFAOYSA-N
XLogP0.07
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2H-benzotriazole-5-carboxamide?
The IUPAC name of 6-methoxy-2H-benzotriazole-5-carboxamide (CID 21223386) is 6-methoxy-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for 6-methoxy-2H-benzotriazole-5-carboxamide?
The canonical SMILES for 6-methoxy-2H-benzotriazole-5-carboxamide is COc1cc2n[nH]nc2cc1C(N)=O.
What is the InChIKey of 6-methoxy-2H-benzotriazole-5-carboxamide?
The InChIKey is RPAHKVOVIOEJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-7-3-6-5(10-12-11-6)2-4(7)8(9)13/h2-3H,1H3,(H2,9,13)(H,10,11,12).
What are the key properties of 6-methoxy-2H-benzotriazole-5-carboxamide?
6-methoxy-2H-benzotriazole-5-carboxamide has a molecular weight of 192.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 21223386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).