N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide

C14H10N6O — CID 110468858

IUPACN-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H10N6O/c21-14(8-1-3-12-13(6-8)19-20-18-12)16-10-2-4-11-9(5-10)7-15-17-11/h1-7H,(H,15,17)(H,16,21)(H,18,19,20)
InChIKeyPSQXARMDOAXCGW-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.09
Rot. Bonds2

About N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide

N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 110468858) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
PubChem CID110468858
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC NameN-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H10N6O/c21-14(8-1-3-12-13(6-8)19-20-18-12)16-10-2-4-11-9(5-10)7-15-17-11/h1-7H,(H,15,17)(H,16,21)(H,18,19,20)
InChIKeyPSQXARMDOAXCGW-UHFFFAOYSA-N
XLogP2.09
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-(1H-indazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704644
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
CID 103221440
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide (CID 110468858) is N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is PSQXARMDOAXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c21-14(8-1-3-12-13(6-8)19-20-18-12)16-10-2-4-11-9(5-10)7-15-17-11/h1-7H,(H,15,17)(H,16,21)(H,18,19,20).
What are the key properties of N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide?
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 110468858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).