(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone

C15H16N8O — CID 127043362

IUPAC(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3nnc4nncn4n3)CC2)cc1
InChIInChI=1S/C15H16N8O/c1-11-2-4-12(5-3-11)13(24)21-6-8-22(9-7-21)15-19-18-14-17-16-10-23(14)20-15/h2-5,10H,6-9H2,1H3
InChIKeyCFTXGNHAGQMTSV-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.19
Rot. Bonds2

About (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone

(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone (PubChem CID 127043362) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone
PubChem CID127043362
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3nnc4nncn4n3)CC2)cc1
InChIInChI=1S/C15H16N8O/c1-11-2-4-12(5-3-11)13(24)21-6-8-22(9-7-21)15-19-18-14-17-16-10-23(14)20-15/h2-5,10H,6-9H2,1H3
InChIKeyCFTXGNHAGQMTSV-UHFFFAOYSA-N
XLogP0.19
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202519
(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371264
(4-methylphenyl)-[4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202857
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53202640
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845
[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50896011
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
1-[4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122346475
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 53202521
(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]methanone
CID 53203627

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone (CID 127043362) is (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3nnc4nncn4n3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is CFTXGNHAGQMTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c1-11-2-4-12(5-3-11)13(24)21-6-8-22(9-7-21)15-19-18-14-17-16-10-23(14)20-15/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone?
(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 324.35 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 127043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).