(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone

C17H24N6O — CID 155882242

IUPAC(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
SMILESCCCn1cnnc1C1CN(C(=O)c2cncn2C)CC12CCC2
InChIInChI=1S/C17H24N6O/c1-3-7-22-12-19-20-15(22)13-9-23(10-17(13)5-4-6-17)16(24)14-8-18-11-21(14)2/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyQFRJNLQIWMTXSD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds4

About (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone

(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone (PubChem CID 155882242) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
PubChem CID155882242
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
SMILESCCCn1cnnc1C1CN(C(=O)c2cncn2C)CC12CCC2
InChIInChI=1S/C17H24N6O/c1-3-7-22-12-19-20-15(22)13-9-23(10-17(13)5-4-6-17)16(24)14-8-18-11-21(14)2/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyQFRJNLQIWMTXSD-UHFFFAOYSA-N
XLogP1.83
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone (CID 155882242) is (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone is CCCn1cnnc1C1CN(C(=O)c2cncn2C)CC12CCC2.
What is the InChIKey of (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
The InChIKey is QFRJNLQIWMTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-7-22-12-19-20-15(22)13-9-23(10-17(13)5-4-6-17)16(24)14-8-18-11-21(14)2/h8,11-13H,3-7,9-10H2,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone?
(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone is sourced from PubChem (CID 155882242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).