1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol

C13H19N7O — CID 50972239

IUPAC1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NCCn3ccnn3)n2)CC1
InChIInChI=1S/C13H19N7O/c21-11-2-7-19(8-3-11)12-1-4-14-13(17-12)15-5-9-20-10-6-16-18-20/h1,4,6,10-11,21H,2-3,5,7-9H2,(H,14,15,17)
InChIKeyZHSFMHSKZDNISV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.14
Rot. Bonds5

About 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 50972239) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID50972239
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NCCn3ccnn3)n2)CC1
InChIInChI=1S/C13H19N7O/c21-11-2-7-19(8-3-11)12-1-4-14-13(17-12)15-5-9-20-10-6-16-18-20/h1,4,6,10-11,21H,2-3,5,7-9H2,(H,14,15,17)
InChIKeyZHSFMHSKZDNISV-UHFFFAOYSA-N
XLogP0.14
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol (CID 50972239) is 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2ccnc(NCCn3ccnn3)n2)CC1.
What is the InChIKey of 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is ZHSFMHSKZDNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c21-11-2-7-19(8-3-11)12-1-4-14-13(17-12)15-5-9-20-10-6-16-18-20/h1,4,6,10-11,21H,2-3,5,7-9H2,(H,14,15,17).
What are the key properties of 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 289.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 50972239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).