7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine

C14H23N7 — CID 146139765

IUPAC7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
SMILESCc1[nH]nc2c1CCCN2CCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C14H23N7/c1-10-11-6-5-8-20(13(11)17-15-10)9-7-12-16-19-21(18-12)14(2,3)4/h5-9H2,1-4H3,(H,15,17)
InChIKeyUCSGJFSNRRHLBO-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.45
Rot. Bonds3

About 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine

7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine (PubChem CID 146139765) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
PubChem CID146139765
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
SMILESCc1[nH]nc2c1CCCN2CCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C14H23N7/c1-10-11-6-5-8-20(13(11)17-15-10)9-7-12-16-19-21(18-12)14(2,3)4/h5-9H2,1-4H3,(H,15,17)
InChIKeyUCSGJFSNRRHLBO-UHFFFAOYSA-N
XLogP1.45
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine?
The IUPAC name of 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine (CID 146139765) is 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine.
What is the SMILES notation for 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine?
The canonical SMILES for 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine is Cc1[nH]nc2c1CCCN2CCc1nnn(C(C)(C)C)n1.
What is the InChIKey of 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine?
The InChIKey is UCSGJFSNRRHLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-10-11-6-5-8-20(13(11)17-15-10)9-7-12-16-19-21(18-12)14(2,3)4/h5-9H2,1-4H3,(H,15,17).
What are the key properties of 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine?
7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine has a molecular weight of 289.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine is sourced from PubChem (CID 146139765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).