(2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone

C17H23N5O2 — CID 71877330

IUPAC(2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
SMILESCOc1cccc(-n2nnc(C(=O)N3CCN(C)CC3C)c2C)c1
InChIInChI=1S/C17H23N5O2/c1-12-11-20(3)8-9-21(12)17(23)16-13(2)22(19-18-16)14-6-5-7-15(10-14)24-4/h5-7,10,12H,8-9,11H2,1-4H3
InChIKeyXMFHRQPZBZYYRJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.36
Rot. Bonds3

About (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone (PubChem CID 71877330) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
PubChem CID71877330
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
SMILESCOc1cccc(-n2nnc(C(=O)N3CCN(C)CC3C)c2C)c1
InChIInChI=1S/C17H23N5O2/c1-12-11-20(3)8-9-21(12)17(23)16-13(2)22(19-18-16)14-6-5-7-15(10-14)24-4/h5-7,10,12H,8-9,11H2,1-4H3
InChIKeyXMFHRQPZBZYYRJ-UHFFFAOYSA-N
XLogP1.36
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone (CID 71877330) is (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone is COc1cccc(-n2nnc(C(=O)N3CCN(C)CC3C)c2C)c1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
The InChIKey is XMFHRQPZBZYYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-20(3)8-9-21(12)17(23)16-13(2)22(19-18-16)14-6-5-7-15(10-14)24-4/h5-7,10,12H,8-9,11H2,1-4H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone is sourced from PubChem (CID 71877330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).