5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H11N9 — CID 56888871

IUPAC5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1cc(-c2cc(NCc3nn[nH]n3)n3nccc3n2)ccn1
InChIInChI=1S/C13H11N9/c1-4-14-5-2-9(1)10-7-13(15-8-11-18-20-21-19-11)22-12(17-10)3-6-16-22/h1-7,15H,8H2,(H,18,19,20,21)
InChIKeyWRSBPOSFUHVGKU-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.92
Rot. Bonds4

About 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56888871) has the molecular formula C13H11N9 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56888871
Molecular FormulaC13H11N9
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1cc(-c2cc(NCc3nn[nH]n3)n3nccc3n2)ccn1
InChIInChI=1S/C13H11N9/c1-4-14-5-2-9(1)10-7-13(15-8-11-18-20-21-19-11)22-12(17-10)3-6-16-22/h1-7,15H,8H2,(H,18,19,20,21)
InChIKeyWRSBPOSFUHVGKU-UHFFFAOYSA-N
XLogP0.92
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56888871) is 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is c1cc(-c2cc(NCc3nn[nH]n3)n3nccc3n2)ccn1.
What is the InChIKey of 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WRSBPOSFUHVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N9/c1-4-14-5-2-9(1)10-7-13(15-8-11-18-20-21-19-11)22-12(17-10)3-6-16-22/h1-7,15H,8H2,(H,18,19,20,21).
What are the key properties of 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56888871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).