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

C10H12N4O — CID 43036237

IUPACN-propan-2-yl-2H-benzotriazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O/c1-6(2)11-10(15)7-3-4-8-9(5-7)13-14-12-8/h3-6H,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyLBNWPTJWWPUFDA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.10
Rot. Bonds2

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

N-propan-2-yl-2H-benzotriazole-5-carboxamide (PubChem CID 43036237) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-propan-2-yl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2H-benzotriazole-5-carboxamide
PubChem CID43036237
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-propan-2-yl-2H-benzotriazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O/c1-6(2)11-10(15)7-3-4-8-9(5-7)13-14-12-8/h3-6H,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyLBNWPTJWWPUFDA-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-2H-benzotriazole-5-carboxamide (CID 43036237) is N-propan-2-yl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2H-benzotriazole-5-carboxamide is CC(C)NC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-propan-2-yl-2H-benzotriazole-5-carboxamide?
The InChIKey is LBNWPTJWWPUFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6(2)11-10(15)7-3-4-8-9(5-7)13-14-12-8/h3-6H,1-2H3,(H,11,15)(H,12,13,14).
What are the key properties of N-propan-2-yl-2H-benzotriazole-5-carboxamide?
N-propan-2-yl-2H-benzotriazole-5-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 43036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).