7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C15H23N7 — CID 134793959

IUPAC7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1nccc1CN1CCn2c(nnc2C2CCCNC2)C1
InChIInChI=1S/C15H23N7/c1-20-13(4-6-17-20)10-21-7-8-22-14(11-21)18-19-15(22)12-3-2-5-16-9-12/h4,6,12,16H,2-3,5,7-11H2,1H3
InChIKeyHPRDZMYWYROISG-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.49
Rot. Bonds3

About 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134793959) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134793959
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1nccc1CN1CCn2c(nnc2C2CCCNC2)C1
InChIInChI=1S/C15H23N7/c1-20-13(4-6-17-20)10-21-7-8-22-14(11-21)18-19-15(22)12-3-2-5-16-9-12/h4,6,12,16H,2-3,5,7-11H2,1H3
InChIKeyHPRDZMYWYROISG-UHFFFAOYSA-N
XLogP0.49
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134793959) is 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cn1nccc1CN1CCn2c(nnc2C2CCCNC2)C1.
What is the InChIKey of 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HPRDZMYWYROISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-20-13(4-6-17-20)10-21-7-8-22-14(11-21)18-19-15(22)12-3-2-5-16-9-12/h4,6,12,16H,2-3,5,7-11H2,1H3.
What are the key properties of 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 301.40 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpyrazol-3-yl)methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134793959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).