benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone

C17H18N4O — CID 690503

IUPACbenzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C17H18N4O/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3
InChIKeyYEVQJKWVWNHPCK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.97
Rot. Bonds4

About benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone

benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone (PubChem CID 690503) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
PubChem CID690503
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Namebenzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C17H18N4O/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3
InChIKeyYEVQJKWVWNHPCK-UHFFFAOYSA-N
XLogP2.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66688521
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benzotriazol-1-yl-(3-bromo-4-propan-2-yloxyphenyl)methanone
CID 17355156
N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
CID 3356312
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3770861
benzotriazol-1-yl-(5-methylfuran-2-yl)methanone
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CID 56988742

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone?
The IUPAC name of benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone (CID 690503) is benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone?
The canonical SMILES for benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone is CCN(CC)c1ccc(C(=O)n2nnc3ccccc32)cc1.
What is the InChIKey of benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone?
The InChIKey is YEVQJKWVWNHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-20(4-2)14-11-9-13(10-12-14)17(22)21-16-8-6-5-7-15(16)18-19-21/h5-12H,3-4H2,1-2H3.
What are the key properties of benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone?
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone has a molecular weight of 294.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone is sourced from PubChem (CID 690503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).