N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide

C16H19N5O2 — CID 86783518

IUPACN-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide
SMILESO=C(CCNC(=O)C1CCC1)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C16H19N5O2/c22-15(8-9-17-16(23)12-4-3-5-12)19-13-6-1-2-7-14(13)21-11-10-18-20-21/h1-2,6-7,10-12H,3-5,8-9H2,(H,17,23)(H,19,22)
InChIKeyPMQFVIRFHMKRSK-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.51
Rot. Bonds6

About N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide

N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide (PubChem CID 86783518) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide
PubChem CID86783518
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide
SMILESO=C(CCNC(=O)C1CCC1)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C16H19N5O2/c22-15(8-9-17-16(23)12-4-3-5-12)19-13-6-1-2-7-14(13)21-11-10-18-20-21/h1-2,6-7,10-12H,3-5,8-9H2,(H,17,23)(H,19,22)
InChIKeyPMQFVIRFHMKRSK-UHFFFAOYSA-N
XLogP1.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenothiazin-10-yl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112835297
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941818
4-(4-chlorophenyl)sulfanyl-N-[2-(triazol-1-yl)phenyl]butanamide
CID 112835247
N-[2-(triazol-1-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75472912
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide (CID 86783518) is N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide is O=C(CCNC(=O)C1CCC1)Nc1ccccc1-n1ccnn1.
What is the InChIKey of N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide?
The InChIKey is PMQFVIRFHMKRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(8-9-17-16(23)12-4-3-5-12)19-13-6-1-2-7-14(13)21-11-10-18-20-21/h1-2,6-7,10-12H,3-5,8-9H2,(H,17,23)(H,19,22).
What are the key properties of N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide?
N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(triazol-1-yl)anilino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 86783518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).