2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C12H16N8 — CID 70708814

IUPAC2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2nn[nH]n2)n2nc(C)c(C)c2n1
InChIInChI=1S/C12H16N8/c1-6-5-10(14-9(4)11-15-18-19-16-11)20-12(13-6)7(2)8(3)17-20/h5,9,14H,1-4H3,(H,15,16,18,19)
InChIKeyXIESTNKSDWAAMB-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.34
Rot. Bonds3

About 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70708814) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70708814
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2nn[nH]n2)n2nc(C)c(C)c2n1
InChIInChI=1S/C12H16N8/c1-6-5-10(14-9(4)11-15-18-19-16-11)20-12(13-6)7(2)8(3)17-20/h5,9,14H,1-4H3,(H,15,16,18,19)
InChIKeyXIESTNKSDWAAMB-UHFFFAOYSA-N
XLogP1.34
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70708814) is 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)c2nn[nH]n2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XIESTNKSDWAAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-6-5-10(14-9(4)11-15-18-19-16-11)20-12(13-6)7(2)8(3)17-20/h5,9,14H,1-4H3,(H,15,16,18,19).
What are the key properties of 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 272.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70708814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).