N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide

C15H11N5O — CID 71918413

IUPACN-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H11N5O/c21-15(10-2-1-9-5-6-16-13(9)7-10)17-11-3-4-12-14(8-11)19-20-18-12/h1-8,16H,(H,17,21)(H,18,19,20)
InChIKeyPRCRBWBJWQCINQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.69
Rot. Bonds2

About N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide

N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide (PubChem CID 71918413) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
PubChem CID71918413
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC NameN-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H11N5O/c21-15(10-2-1-9-5-6-16-13(9)7-10)17-11-3-4-12-14(8-11)19-20-18-12/h1-8,16H,(H,17,21)(H,18,19,20)
InChIKeyPRCRBWBJWQCINQ-UHFFFAOYSA-N
XLogP2.69
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
CID 167796814
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide (CID 71918413) is N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide?
The InChIKey is PRCRBWBJWQCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-15(10-2-1-9-5-6-16-13(9)7-10)17-11-3-4-12-14(8-11)19-20-18-12/h1-8,16H,(H,17,21)(H,18,19,20).
What are the key properties of N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide?
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 71918413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).