cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone

C21H26N6O — CID 92993144

IUPACcyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCc1nnc2c3ccccc3nc(N3CCN(C(=O)C4CCCC4)[C@H](C)C3)n12
InChIInChI=1S/C21H26N6O/c1-14-13-25(11-12-26(14)20(28)16-7-3-4-8-16)21-22-18-10-6-5-9-17(18)19-24-23-15(2)27(19)21/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyMILMREYTBZROPQ-CQSZACIVSA-N
MW378.48 g/mol
LogP2.81
Rot. Bonds2

About cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone

cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone (PubChem CID 92993144) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
PubChem CID92993144
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Namecyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCc1nnc2c3ccccc3nc(N3CCN(C(=O)C4CCCC4)[C@H](C)C3)n12
InChIInChI=1S/C21H26N6O/c1-14-13-25(11-12-26(14)20(28)16-7-3-4-8-16)21-22-18-10-6-5-9-17(18)19-24-23-15(2)27(19)21/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyMILMREYTBZROPQ-CQSZACIVSA-N
XLogP2.81
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-4-(8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 92992914
cyclobutyl-[(2S)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 92993909
2-methyl-1-[(2R)-2-methyl-4-(3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]propan-1-one
CID 92994057
2-methyl-1-[2-methyl-4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]propan-1-one
CID 46064111
[(2R)-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-phenylmethanone
CID 92993815
[(2R)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-phenylmethanone
CID 92993910
5-[4-(3-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46064697
[4-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(2-chlorophenyl)methanone
CID 46063991
(2-chlorophenyl)-[2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 42864853
4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 46064617
ethyl 1-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperidine-4-carboxylate
CID 20921636
[(2R)-4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 92994088

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone (CID 92993144) is cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone is Cc1nnc2c3ccccc3nc(N3CCN(C(=O)C4CCCC4)[C@H](C)C3)n12.
What is the InChIKey of cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
The InChIKey is MILMREYTBZROPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-13-25(11-12-26(14)20(28)16-7-3-4-8-16)21-22-18-10-6-5-9-17(18)19-24-23-15(2)27(19)21/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone?
cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 92993144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).