6-butyltetrazolo[1,5-a]pyrimidine

C8H11N5 — CID 638202

IUPAC6-butyltetrazolo[1,5-a]pyrimidine
SMILESCCCCc1cnc2nnnn2c1
InChIInChI=1S/C8H11N5/c1-2-3-4-7-5-9-8-10-11-12-13(8)6-7/h5-6H,2-4H2,1H3
InChIKeyYOCIRKWUKWJCDV-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.86
Rot. Bonds3

About 6-butyltetrazolo[1,5-a]pyrimidine

6-butyltetrazolo[1,5-a]pyrimidine (PubChem CID 638202) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-butyltetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-butyltetrazolo[1,5-a]pyrimidine
PubChem CID638202
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name6-butyltetrazolo[1,5-a]pyrimidine
SMILESCCCCc1cnc2nnnn2c1
InChIInChI=1S/C8H11N5/c1-2-3-4-7-5-9-8-10-11-12-13(8)6-7/h5-6H,2-4H2,1H3
InChIKeyYOCIRKWUKWJCDV-UHFFFAOYSA-N
XLogP0.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyltetrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-butyltetrazolo[1,5-a]pyrimidine (CID 638202) is 6-butyltetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-butyltetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-butyltetrazolo[1,5-a]pyrimidine is CCCCc1cnc2nnnn2c1.
What is the InChIKey of 6-butyltetrazolo[1,5-a]pyrimidine?
The InChIKey is YOCIRKWUKWJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-3-4-7-5-9-8-10-11-12-13(8)6-7/h5-6H,2-4H2,1H3.
What are the key properties of 6-butyltetrazolo[1,5-a]pyrimidine?
6-butyltetrazolo[1,5-a]pyrimidine has a molecular weight of 177.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyltetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 638202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).