N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide

C13H16N4O — CID 16671536

IUPACN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](Cn1nnc2ccccc21)NC(=O)C1CC1
InChIInChI=1S/C13H16N4O/c1-9(14-13(18)10-6-7-10)8-17-12-5-3-2-4-11(12)15-16-17/h2-5,9-10H,6-8H2,1H3,(H,14,18)/t9-/m0/s1
InChIKeyREFGMJPAWFPFGQ-VIFPVBQESA-N
MW244.30 g/mol
LogP1.35
Rot. Bonds4

About N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide (PubChem CID 16671536) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
PubChem CID16671536
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](Cn1nnc2ccccc21)NC(=O)C1CC1
InChIInChI=1S/C13H16N4O/c1-9(14-13(18)10-6-7-10)8-17-12-5-3-2-4-11(12)15-16-17/h2-5,9-10H,6-8H2,1H3,(H,14,18)/t9-/m0/s1
InChIKeyREFGMJPAWFPFGQ-VIFPVBQESA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
CID 16671578
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-3-phenylpropanamide
CID 95791798
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 16671589
2-(3-acetyl-2,2-dimethylcyclobutyl)-N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]acetamide
CID 16671688
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16671741
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-[(2R)-1-(benzotriazol-1-yl)propan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-isoindole-4-carboxamide
CID 16672272
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclopentanecarboxamide
CID 95791854

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide (CID 16671536) is N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide is C[C@@H](Cn1nnc2ccccc21)NC(=O)C1CC1.
What is the InChIKey of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide?
The InChIKey is REFGMJPAWFPFGQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(14-13(18)10-6-7-10)8-17-12-5-3-2-4-11(12)15-16-17/h2-5,9-10H,6-8H2,1H3,(H,14,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide?
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 16671536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).