2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine

C16H20N8 — CID 133455643

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine
SMILESCc1cc(C)n(-c2cncc(N3CCC(n4ccnn4)CC3)n2)n1
InChIInChI=1S/C16H20N8/c1-12-9-13(2)24(20-12)16-11-17-10-15(19-16)22-6-3-14(4-7-22)23-8-5-18-21-23/h5,8-11,14H,3-4,6-7H2,1-2H3
InChIKeyPWQWNEJNOLKHKS-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.71
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine

2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine (PubChem CID 133455643) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine
PubChem CID133455643
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine
SMILESCc1cc(C)n(-c2cncc(N3CCC(n4ccnn4)CC3)n2)n1
InChIInChI=1S/C16H20N8/c1-12-9-13(2)24(20-12)16-11-17-10-15(19-16)22-6-3-14(4-7-22)23-8-5-18-21-23/h5,8-11,14H,3-4,6-7H2,1-2H3
InChIKeyPWQWNEJNOLKHKS-UHFFFAOYSA-N
XLogP1.71
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
2-(3,5-dimethylpyrazol-1-yl)-6-(3-pyrazol-1-ylpiperidin-1-yl)pyrazine
CID 133275726
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 133283095
2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133284114
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133283565
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133281338
2-tert-butyl-4-[4-(triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133455634
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 95768737
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
CID 133284867
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine
CID 127298016

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine (CID 133455643) is 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine is Cc1cc(C)n(-c2cncc(N3CCC(n4ccnn4)CC3)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine?
The InChIKey is PWQWNEJNOLKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-12-9-13(2)24(20-12)16-11-17-10-15(19-16)22-6-3-14(4-7-22)23-8-5-18-21-23/h5,8-11,14H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine?
2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine has a molecular weight of 324.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 133455643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).