N-cyclopropyl-1-methylbenzotriazole-5-carboxamide

C11H12N4O — CID 1088541

IUPACN-cyclopropyl-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)NC3CC3)ccc21
InChIInChI=1S/C11H12N4O/c1-15-10-5-2-7(6-9(10)13-14-15)11(16)12-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,16)
InChIKeyYPLDOSLVCYUKGH-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.86
Rot. Bonds2

About N-cyclopropyl-1-methylbenzotriazole-5-carboxamide

N-cyclopropyl-1-methylbenzotriazole-5-carboxamide (PubChem CID 1088541) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-cyclopropyl-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methylbenzotriazole-5-carboxamide
PubChem CID1088541
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-cyclopropyl-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)NC3CC3)ccc21
InChIInChI=1S/C11H12N4O/c1-15-10-5-2-7(6-9(10)13-14-15)11(16)12-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,16)
InChIKeyYPLDOSLVCYUKGH-UHFFFAOYSA-N
XLogP0.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methylbenzotriazole-5-carboxamide (CID 1088541) is N-cyclopropyl-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)NC3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
The InChIKey is YPLDOSLVCYUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-10-5-2-7(6-9(10)13-14-15)11(16)12-8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H,12,16).
What are the key properties of N-cyclopropyl-1-methylbenzotriazole-5-carboxamide?
N-cyclopropyl-1-methylbenzotriazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 1088541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).