1-butyl-5-propyltetrazole

C8H16N4 — CID 69032145

IUPAC1-butyl-5-propyltetrazole
SMILESCCCCn1nnnc1CCC
InChIInChI=1S/C8H16N4/c1-3-5-7-12-8(6-4-2)9-10-11-12/h3-7H2,1-2H3
InChIKeyIDWFLEQAURZXPO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.43
Rot. Bonds5

About 1-butyl-5-propyltetrazole

1-butyl-5-propyltetrazole (PubChem CID 69032145) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-butyl-5-propyltetrazole.

Molecular Properties

Compound Name1-butyl-5-propyltetrazole
PubChem CID69032145
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-butyl-5-propyltetrazole
SMILESCCCCn1nnnc1CCC
InChIInChI=1S/C8H16N4/c1-3-5-7-12-8(6-4-2)9-10-11-12/h3-7H2,1-2H3
InChIKeyIDWFLEQAURZXPO-UHFFFAOYSA-N
XLogP1.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43417030
3-(5-decyltetrazol-1-yl)propyl-triethoxysilane
CID 142547984
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
1-[(1-butyltetrazol-5-yl)methyl]triazol-4-amine
CID 79530668
1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
CID 63909068
1-[(1-butyltetrazol-5-yl)methylsulfanyl]butan-2-amine
CID 66231533
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
1-butyl-5-[[4-(3-chloropropyl)triazol-1-yl]methyl]tetrazole
CID 113374610
5-methyl-1-pentyltetrazole
CID 67274114
(1-propyltetrazol-5-yl)methanamine
CID 62736890

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-propyltetrazole?
The IUPAC name of 1-butyl-5-propyltetrazole (CID 69032145) is 1-butyl-5-propyltetrazole.
What is the SMILES notation for 1-butyl-5-propyltetrazole?
The canonical SMILES for 1-butyl-5-propyltetrazole is CCCCn1nnnc1CCC.
What is the InChIKey of 1-butyl-5-propyltetrazole?
The InChIKey is IDWFLEQAURZXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-5-7-12-8(6-4-2)9-10-11-12/h3-7H2,1-2H3.
What are the key properties of 1-butyl-5-propyltetrazole?
1-butyl-5-propyltetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-propyltetrazole is sourced from PubChem (CID 69032145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).