(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone

C17H19N7O — CID 66499434

IUPAC(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc2nnc(C(=O)N3CCN(c4ccccc4)CC3)c(C)n2n1
InChIInChI=1S/C17H19N7O/c1-12-15(19-20-17-18-13(2)21-24(12)17)16(25)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyDPBXCQBOAXAJKK-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.10
Rot. Bonds2

About (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone

(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 66499434) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID66499434
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc2nnc(C(=O)N3CCN(c4ccccc4)CC3)c(C)n2n1
InChIInChI=1S/C17H19N7O/c1-12-15(19-20-17-18-13(2)21-24(12)17)16(25)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyDPBXCQBOAXAJKK-UHFFFAOYSA-N
XLogP1.10
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[8-(4-bromophenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 16652945
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 66499334
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356
[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3494830
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 66499434) is (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc2nnc(C(=O)N3CCN(c4ccccc4)CC3)c(C)n2n1.
What is the InChIKey of (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DPBXCQBOAXAJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-15(19-20-17-18-13(2)21-24(12)17)16(25)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 337.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 66499434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).