1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]

C23H33N5 — CID 135453086

IUPAC1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]
SMILESCC(C)(C)C1CCC(N2CCC3(CC2)Nc2ccccc2-c2ncnn23)CC1
InChIInChI=1S/C23H33N5/c1-22(2,3)17-8-10-18(11-9-17)27-14-12-23(13-15-27)26-20-7-5-4-6-19(20)21-24-16-25-28(21)23/h4-7,16-18,26H,8-15H2,1-3H3
InChIKeyHPKZHFFFQFZHGJ-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.72
Rot. Bonds1

About 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]

1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine] (PubChem CID 135453086) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine].

Molecular Properties

Compound Name1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]
PubChem CID135453086
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC Name1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]
SMILESCC(C)(C)C1CCC(N2CCC3(CC2)Nc2ccccc2-c2ncnn23)CC1
InChIInChI=1S/C23H33N5/c1-22(2,3)17-8-10-18(11-9-17)27-14-12-23(13-15-27)26-20-7-5-4-6-19(20)21-24-16-25-28(21)23/h4-7,16-18,26H,8-15H2,1-3H3
InChIKeyHPKZHFFFQFZHGJ-UHFFFAOYSA-N
XLogP4.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]?
The IUPAC name of 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine] (CID 135453086) is 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine].
What is the SMILES notation for 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]?
The canonical SMILES for 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine] is CC(C)(C)C1CCC(N2CCC3(CC2)Nc2ccccc2-c2ncnn23)CC1.
What is the InChIKey of 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]?
The InChIKey is HPKZHFFFQFZHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5/c1-22(2,3)17-8-10-18(11-9-17)27-14-12-23(13-15-27)26-20-7-5-4-6-19(20)21-24-16-25-28(21)23/h4-7,16-18,26H,8-15H2,1-3H3.
What are the key properties of 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine]?
1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine] has a molecular weight of 379.55 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-tert-butylcyclohexyl)spiro[6H-[1,2,4]triazolo[1,5-c]quinazoline-5,4'-piperidine] is sourced from PubChem (CID 135453086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).