2-butyl-5-(2,2-dimethylpropyl)tetrazole

C10H20N4 — CID 69030696

IUPAC2-butyl-5-(2,2-dimethylpropyl)tetrazole
SMILESCCCCn1nnc(CC(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-5-6-7-14-12-9(11-13-14)8-10(2,3)4/h5-8H2,1-4H3
InChIKeyBYXCBYILFAJQAK-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.06
Rot. Bonds4

About 2-butyl-5-(2,2-dimethylpropyl)tetrazole

2-butyl-5-(2,2-dimethylpropyl)tetrazole (PubChem CID 69030696) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-butyl-5-(2,2-dimethylpropyl)tetrazole.

Molecular Properties

Compound Name2-butyl-5-(2,2-dimethylpropyl)tetrazole
PubChem CID69030696
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-butyl-5-(2,2-dimethylpropyl)tetrazole
SMILESCCCCn1nnc(CC(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-5-6-7-14-12-9(11-13-14)8-10(2,3)4/h5-8H2,1-4H3
InChIKeyBYXCBYILFAJQAK-UHFFFAOYSA-N
XLogP2.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2,2-dimethylpropyl)tetrazole?
The IUPAC name of 2-butyl-5-(2,2-dimethylpropyl)tetrazole (CID 69030696) is 2-butyl-5-(2,2-dimethylpropyl)tetrazole.
What is the SMILES notation for 2-butyl-5-(2,2-dimethylpropyl)tetrazole?
The canonical SMILES for 2-butyl-5-(2,2-dimethylpropyl)tetrazole is CCCCn1nnc(CC(C)(C)C)n1.
What is the InChIKey of 2-butyl-5-(2,2-dimethylpropyl)tetrazole?
The InChIKey is BYXCBYILFAJQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-6-7-14-12-9(11-13-14)8-10(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-butyl-5-(2,2-dimethylpropyl)tetrazole?
2-butyl-5-(2,2-dimethylpropyl)tetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2,2-dimethylpropyl)tetrazole is sourced from PubChem (CID 69030696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).