2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine

C14H16N8 — CID 126947503

IUPAC2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
SMILESCc1cnn(C2CCN(c3cncc(-n4cncn4)n3)C2)c1
InChIInChI=1S/C14H16N8/c1-11-4-17-21(7-11)12-2-3-20(8-12)13-5-15-6-14(19-13)22-10-16-9-18-22/h4-7,9-10,12H,2-3,8H2,1H3
InChIKeyPPAMJMDQXWHEMT-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.01
Rot. Bonds3

About 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine

2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine (PubChem CID 126947503) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
PubChem CID126947503
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
SMILESCc1cnn(C2CCN(c3cncc(-n4cncn4)n3)C2)c1
InChIInChI=1S/C14H16N8/c1-11-4-17-21(7-11)12-2-3-20(8-12)13-5-15-6-14(19-13)22-10-16-9-18-22/h4-7,9-10,12H,2-3,8H2,1H3
InChIKeyPPAMJMDQXWHEMT-UHFFFAOYSA-N
XLogP1.01
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
CID 126947485
5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933592
2,5-dimethyl-7-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 126947537
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275
4-tert-butyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 154778874
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126947553

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine (CID 126947503) is 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine is Cc1cnn(C2CCN(c3cncc(-n4cncn4)n3)C2)c1.
What is the InChIKey of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine?
The InChIKey is PPAMJMDQXWHEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c1-11-4-17-21(7-11)12-2-3-20(8-12)13-5-15-6-14(19-13)22-10-16-9-18-22/h4-7,9-10,12H,2-3,8H2,1H3.
What are the key properties of 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine?
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine has a molecular weight of 296.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 126947503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).