(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone

C30H30N6O — CID 16652911

IUPAC(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone
SMILESCCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc2ccccc12
InChIInChI=1S/C30H30N6O/c1-3-26-27(25-15-9-13-23-12-7-8-14-24(23)25)29-32-31-28(21(2)36(29)33-26)30(37)35-18-16-34(17-19-35)20-22-10-5-4-6-11-22/h4-15H,3,16-20H2,1-2H3
InChIKeyXAMCNZPNFIRQKC-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.77
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone

(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone (PubChem CID 16652911) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone
PubChem CID16652911
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC Name(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone
SMILESCCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc2ccccc12
InChIInChI=1S/C30H30N6O/c1-3-26-27(25-15-9-13-23-12-7-8-14-24(23)25)29-32-31-28(21(2)36(29)33-26)30(37)35-18-16-34(17-19-35)20-22-10-5-4-6-11-22/h4-15H,3,16-20H2,1-2H3
InChIKeyXAMCNZPNFIRQKC-UHFFFAOYSA-N
XLogP4.77
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 17035598
(4-ethylpiperazin-1-yl)-[7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-3-yl]methanone
CID 43832790
ethyl 7-ethyl-8-naphthalen-1-yl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17228419
[8-(4-bromophenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 16652945
[7-ethyl-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-piperidin-1-ylmethanone
CID 17121523
(4-benzylpiperazin-1-yl)-[2-(methoxymethyl)-3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 43865364
(4-benzylpiperazin-1-yl)-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 19289289
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
(4-benzylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42880815
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone (CID 16652911) is (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone is CCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc2ccccc12.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
The InChIKey is XAMCNZPNFIRQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c1-3-26-27(25-15-9-13-23-12-7-8-14-24(23)25)29-32-31-28(21(2)36(29)33-26)30(37)35-18-16-34(17-19-35)20-22-10-5-4-6-11-22/h4-15H,3,16-20H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone has a molecular weight of 490.61 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(7-ethyl-4-methyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazin-3-yl)methanone is sourced from PubChem (CID 16652911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).