1-propan-2-yl-5-pyrazol-1-yltetrazole

C7H10N6 — CID 58523612

IUPAC1-propan-2-yl-5-pyrazol-1-yltetrazole
SMILESCC(C)n1nnnc1-n1cccn1
InChIInChI=1S/C7H10N6/c1-6(2)13-7(9-10-11-13)12-5-3-4-8-12/h3-6H,1-2H3
InChIKeyIQTJRDXUGIENID-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.44
Rot. Bonds2

About 1-propan-2-yl-5-pyrazol-1-yltetrazole

1-propan-2-yl-5-pyrazol-1-yltetrazole (PubChem CID 58523612) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-propan-2-yl-5-pyrazol-1-yltetrazole.

Molecular Properties

Compound Name1-propan-2-yl-5-pyrazol-1-yltetrazole
PubChem CID58523612
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-propan-2-yl-5-pyrazol-1-yltetrazole
SMILESCC(C)n1nnnc1-n1cccn1
InChIInChI=1S/C7H10N6/c1-6(2)13-7(9-10-11-13)12-5-3-4-8-12/h3-6H,1-2H3
InChIKeyIQTJRDXUGIENID-UHFFFAOYSA-N
XLogP0.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-pyrazol-1-yltetrazole?
The IUPAC name of 1-propan-2-yl-5-pyrazol-1-yltetrazole (CID 58523612) is 1-propan-2-yl-5-pyrazol-1-yltetrazole.
What is the SMILES notation for 1-propan-2-yl-5-pyrazol-1-yltetrazole?
The canonical SMILES for 1-propan-2-yl-5-pyrazol-1-yltetrazole is CC(C)n1nnnc1-n1cccn1.
What is the InChIKey of 1-propan-2-yl-5-pyrazol-1-yltetrazole?
The InChIKey is IQTJRDXUGIENID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-6(2)13-7(9-10-11-13)12-5-3-4-8-12/h3-6H,1-2H3.
What are the key properties of 1-propan-2-yl-5-pyrazol-1-yltetrazole?
1-propan-2-yl-5-pyrazol-1-yltetrazole has a molecular weight of 178.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-pyrazol-1-yltetrazole is sourced from PubChem (CID 58523612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).