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

C15H16N8 — CID 167940796

IUPAC2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1cnn(-c2cncc(-c3ncnc(N4CCNCC4)n3)c2)c1
InChIInChI=1S/C15H16N8/c1-2-20-23(5-1)13-8-12(9-17-10-13)14-18-11-19-15(21-14)22-6-3-16-4-7-22/h1-2,5,8-11,16H,3-4,6-7H2
InChIKeyAWKSUENQDLTOQH-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.53
Rot. Bonds3

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

2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 167940796) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
PubChem CID167940796
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1cnn(-c2cncc(-c3ncnc(N4CCNCC4)n3)c2)c1
InChIInChI=1S/C15H16N8/c1-2-20-23(5-1)13-8-12(9-17-10-13)14-18-11-19-15(21-14)22-6-3-16-4-7-22/h1-2,5,8-11,16H,3-4,6-7H2
InChIKeyAWKSUENQDLTOQH-UHFFFAOYSA-N
XLogP0.53
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(1-phenylpyrazol-4-yl)-1,3,5-triazin-2-yl]-1,4-diazepane
CID 167843757
3,5-di(pyrazol-1-yl)pyridine
CID 58965564
2-piperazin-1-yl-4-thiophen-3-yl-1,3,5-triazine
CID 67388017
1-[[4-[4-(1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]methyl]pyridin-2-one
CID 167816142
3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
CID 167770873
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 54357139
4-(5-pyrazol-1-yl-3-pyridinyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 167814770
3-fluoro-5-pyrazol-1-ylpyridine
CID 68804275
(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride
CID 121209171
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
2-(1-bicyclo[2.2.2]octanyl)-4-(3-pyrazol-1-ylphenyl)-1,3,5-triazine
CID 140595848

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine (CID 167940796) is 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine is c1cnn(-c2cncc(-c3ncnc(N4CCNCC4)n3)c2)c1.
What is the InChIKey of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
The InChIKey is AWKSUENQDLTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-2-20-23(5-1)13-8-12(9-17-10-13)14-18-11-19-15(21-14)22-6-3-16-4-7-22/h1-2,5,8-11,16H,3-4,6-7H2.
What are the key properties of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine has a molecular weight of 308.35 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 167940796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).