4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C12H14N8 — CID 71862723

IUPAC4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1n[nH]c(C2CCCN(c3ncnc4[nH]ncc34)C2)n1
InChIInChI=1S/C12H14N8/c1-2-8(10-14-7-17-18-10)5-20(3-1)12-9-4-16-19-11(9)13-6-15-12/h4,6-8H,1-3,5H2,(H,14,17,18)(H,13,15,16,19)
InChIKeyULLYSWSDVODMHN-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.86
Rot. Bonds2

About 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 71862723) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID71862723
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1n[nH]c(C2CCCN(c3ncnc4[nH]ncc34)C2)n1
InChIInChI=1S/C12H14N8/c1-2-8(10-14-7-17-18-10)5-20(3-1)12-9-4-16-19-11(9)13-6-15-12/h4,6-8H,1-3,5H2,(H,14,17,18)(H,13,15,16,19)
InChIKeyULLYSWSDVODMHN-UHFFFAOYSA-N
XLogP0.86
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 131901668
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 71978493
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138037275
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 171998183
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 71862723) is 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is c1n[nH]c(C2CCCN(c3ncnc4[nH]ncc34)C2)n1.
What is the InChIKey of 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is ULLYSWSDVODMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c1-2-8(10-14-7-17-18-10)5-20(3-1)12-9-4-16-19-11(9)13-6-15-12/h4,6-8H,1-3,5H2,(H,14,17,18)(H,13,15,16,19).
What are the key properties of 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 270.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71862723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).