N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide

C11H8N6O — CID 29368084

IUPACN-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H8N6O/c18-10(14-11-12-4-1-5-13-11)7-2-3-8-9(6-7)16-17-15-8/h1-6H,(H,15,16,17)(H,12,13,14,18)
InChIKeyOXNWVUYSZSZAFW-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.00
Rot. Bonds2

About N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide

N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide (PubChem CID 29368084) has the molecular formula C11H8N6O and a molecular weight of 240.23 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
PubChem CID29368084
Molecular FormulaC11H8N6O
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC NameN-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H8N6O/c18-10(14-11-12-4-1-5-13-11)7-2-3-8-9(6-7)16-17-15-8/h1-6H,(H,15,16,17)(H,12,13,14,18)
InChIKeyOXNWVUYSZSZAFW-UHFFFAOYSA-N
XLogP1.00
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
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N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
CID 63262203
N-pyrimidin-2-ylbenzamide
CID 638481
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 56783123
N-cyano-2H-benzotriazole-5-carboxamide
CID 79194038

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide (CID 29368084) is N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide is O=C(Nc1ncccn1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide?
The InChIKey is OXNWVUYSZSZAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O/c18-10(14-11-12-4-1-5-13-11)7-2-3-8-9(6-7)16-17-15-8/h1-6H,(H,15,16,17)(H,12,13,14,18).
What are the key properties of N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide?
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide has a molecular weight of 240.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 29368084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).