5-butyl-5-propan-2-yltetrazole

C8H16N4 — CID 69385429

IUPAC5-butyl-5-propan-2-yltetrazole
SMILESCCCCC1(C(C)C)N=NN=N1
InChIInChI=1S/C8H16N4/c1-4-5-6-8(7(2)3)9-11-12-10-8/h7H,4-6H2,1-3H3
InChIKeyQJKUICMBIGAMNC-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.36
Rot. Bonds4

About 5-butyl-5-propan-2-yltetrazole

5-butyl-5-propan-2-yltetrazole (PubChem CID 69385429) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-butyl-5-propan-2-yltetrazole.

Molecular Properties

Compound Name5-butyl-5-propan-2-yltetrazole
PubChem CID69385429
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-butyl-5-propan-2-yltetrazole
SMILESCCCCC1(C(C)C)N=NN=N1
InChIInChI=1S/C8H16N4/c1-4-5-6-8(7(2)3)9-11-12-10-8/h7H,4-6H2,1-3H3
InChIKeyQJKUICMBIGAMNC-UHFFFAOYSA-N
XLogP3.36
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-5-propyltetrazole
CID 69386081
5-ethyl-5-hexan-2-yltetrazole
CID 90996051
5-butyl-5-ethyltetrazole
CID 68800278
5,5-dihexyltetrazole
CID 69386804
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
5-pentyltetrazole-5-carbonitrile
CID 69382845
ethane;hexane;2-methylpropane
CID 143834457
hexane;2-methylpentane
CID 19835603
5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole
CID 69382501
2-hexyl-2-propan-2-yloxirane
CID 170634762
2,2,3,3-tetrabutylaziridine
CID 87703412
ethane;heptane;2-methylpropane
CID 167499531

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-propan-2-yltetrazole?
The IUPAC name of 5-butyl-5-propan-2-yltetrazole (CID 69385429) is 5-butyl-5-propan-2-yltetrazole.
What is the SMILES notation for 5-butyl-5-propan-2-yltetrazole?
The canonical SMILES for 5-butyl-5-propan-2-yltetrazole is CCCCC1(C(C)C)N=NN=N1.
What is the InChIKey of 5-butyl-5-propan-2-yltetrazole?
The InChIKey is QJKUICMBIGAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5-6-8(7(2)3)9-11-12-10-8/h7H,4-6H2,1-3H3.
What are the key properties of 5-butyl-5-propan-2-yltetrazole?
5-butyl-5-propan-2-yltetrazole has a molecular weight of 168.24 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-propan-2-yltetrazole is sourced from PubChem (CID 69385429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).