1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone

C19H26N6O — CID 146067884

IUPAC1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CC(c3nncn3C3CC3)C3(CCCC3)C2)c1
InChIInChI=1S/C19H26N6O/c1-14-8-21-24(9-14)11-17(26)23-10-16(19(12-23)6-2-3-7-19)18-22-20-13-25(18)15-4-5-15/h8-9,13,15-16H,2-7,10-12H2,1H3
InChIKeyMMGFGYNNWMPWRX-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.30
Rot. Bonds4

About 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 146067884) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID146067884
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CC(c3nncn3C3CC3)C3(CCCC3)C2)c1
InChIInChI=1S/C19H26N6O/c1-14-8-21-24(9-14)11-17(26)23-10-16(19(12-23)6-2-3-7-19)18-22-20-13-25(18)15-4-5-15/h8-9,13,15-16H,2-7,10-12H2,1H3
InChIKeyMMGFGYNNWMPWRX-UHFFFAOYSA-N
XLogP2.30
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 146067884) is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CC(c3nncn3C3CC3)C3(CCCC3)C2)c1.
What is the InChIKey of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is MMGFGYNNWMPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-8-21-24(9-14)11-17(26)23-10-16(19(12-23)6-2-3-7-19)18-22-20-13-25(18)15-4-5-15/h8-9,13,15-16H,2-7,10-12H2,1H3.
What are the key properties of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 146067884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).