2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C14H20N8O — CID 56799788

IUPAC2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)c1nnnn1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H20N8O/c1-11(2)13-17-18-19-22(13)10-12(23)20-6-8-21(9-7-20)14-15-4-3-5-16-14/h3-5,11H,6-10H2,1-2H3
InChIKeyIZABMMBFVFIRKO-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.06
Rot. Bonds4

About 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56799788) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID56799788
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)c1nnnn1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H20N8O/c1-11(2)13-17-18-19-22(13)10-12(23)20-6-8-21(9-7-20)14-15-4-3-5-16-14/h3-5,11H,6-10H2,1-2H3
InChIKeyIZABMMBFVFIRKO-UHFFFAOYSA-N
XLogP-0.06
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 56799788) is 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CC(C)c1nnnn1CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IZABMMBFVFIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c1-11(2)13-17-18-19-22(13)10-12(23)20-6-8-21(9-7-20)14-15-4-3-5-16-14/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 316.37 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yltetrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56799788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).