5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine

C14H17N5O — CID 96667978

IUPAC5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
SMILESCOc1cccc(-c2cnnc(N3CCNCC3)n2)c1
InChIInChI=1S/C14H17N5O/c1-20-12-4-2-3-11(9-12)13-10-16-18-14(17-13)19-7-5-15-6-8-19/h2-4,9-10,15H,5-8H2,1H3
InChIKeyAQOCHBNFKDREDD-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.96
Rot. Bonds3

About 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine

5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine (PubChem CID 96667978) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
PubChem CID96667978
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
SMILESCOc1cccc(-c2cnnc(N3CCNCC3)n2)c1
InChIInChI=1S/C14H17N5O/c1-20-12-4-2-3-11(9-12)13-10-16-18-14(17-13)19-7-5-15-6-8-19/h2-4,9-10,15H,5-8H2,1H3
InChIKeyAQOCHBNFKDREDD-UHFFFAOYSA-N
XLogP0.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 82487978
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198
5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine
CID 45238719
2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
CID 82169369
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
CID 82479940
1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792806
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202
2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 72698971
6-(3-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carbonitrile
CID 39380253
(4S)-4-(4-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917109
4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine
CID 70857113

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine?
The IUPAC name of 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine (CID 96667978) is 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine?
The canonical SMILES for 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine is COc1cccc(-c2cnnc(N3CCNCC3)n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine?
The InChIKey is AQOCHBNFKDREDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-12-4-2-3-11(9-12)13-10-16-18-14(17-13)19-7-5-15-6-8-19/h2-4,9-10,15H,5-8H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine?
5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine has a molecular weight of 271.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine is sourced from PubChem (CID 96667978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).