2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C18H21N5O2 — CID 131681723

IUPAC2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC(c2ccccc2)C2(CCN(C(=O)c3ncn(C)n3)C2)C1=O
InChIInChI=1S/C18H21N5O2/c1-21-10-14(13-6-4-3-5-7-13)18(17(21)25)8-9-23(11-18)16(24)15-19-12-22(2)20-15/h3-7,12,14H,8-11H2,1-2H3
InChIKeyMZLSOAPDRXJJIZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.90
Rot. Bonds2

About 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one

2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131681723) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131681723
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC(c2ccccc2)C2(CCN(C(=O)c3ncn(C)n3)C2)C1=O
InChIInChI=1S/C18H21N5O2/c1-21-10-14(13-6-4-3-5-7-13)18(17(21)25)8-9-23(11-18)16(24)15-19-12-22(2)20-15/h3-7,12,14H,8-11H2,1-2H3
InChIKeyMZLSOAPDRXJJIZ-UHFFFAOYSA-N
XLogP0.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
(5S,9S)-2-methyl-9-phenyl-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471880
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(4S)-2-methyl-8-(1-methylpyrrole-2-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452812
(5R,9R)-2-methyl-9-phenyl-7-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124821965
(4S)-2-methyl-8-(morpholine-4-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 97452819
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131688867
6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile
CID 131639669
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
(5R,9R)-7-cyclopropylsulfonyl-2-methyl-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124820093
N,N-dimethyl-1'-(1-methyl-1,2,4-triazole-3-carbonyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680042
(1-methyl-1,2,4-triazol-3-yl)-[1-(pyridin-2-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]methanone
CID 131679801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 131681723) is 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one is CN1CC(c2ccccc2)C2(CCN(C(=O)c3ncn(C)n3)C2)C1=O.
What is the InChIKey of 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MZLSOAPDRXJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-10-14(13-6-4-3-5-7-13)18(17(21)25)8-9-23(11-18)16(24)15-19-12-22(2)20-15/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 339.40 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131681723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).