5-butyl-2-methyltetrazole;ethane

C8H18N4 — CID 144800630

IUPAC5-butyl-2-methyltetrazole;ethane
SMILESCC.CCCCc1nnn(C)n1
InChIInChI=1S/C6H12N4.C2H6/c1-3-4-5-6-7-9-10(2)8-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyXAZZFNRPFGBWAF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.58
Rot. Bonds3

About 5-butyl-2-methyltetrazole;ethane

5-butyl-2-methyltetrazole;ethane (PubChem CID 144800630) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-butyl-2-methyltetrazole;ethane.

Molecular Properties

Compound Name5-butyl-2-methyltetrazole;ethane
PubChem CID144800630
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name5-butyl-2-methyltetrazole;ethane
SMILESCC.CCCCc1nnn(C)n1
InChIInChI=1S/C6H12N4.C2H6/c1-3-4-5-6-7-9-10(2)8-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyXAZZFNRPFGBWAF-UHFFFAOYSA-N
XLogP1.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromobutyl)-2-methyltetrazole
CID 107055081
6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054841
2-butyl-5-propyltetrazole
CID 69034353
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
5-(4-chloropentyl)-2-methyltetrazole
CID 107055052
2-fluoro-5-pentyltetrazole
CID 69031362
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium
CID 915091
5-pentyltetrazole-2-carbonitrile
CID 69030724
3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107061843

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyltetrazole;ethane?
The IUPAC name of 5-butyl-2-methyltetrazole;ethane (CID 144800630) is 5-butyl-2-methyltetrazole;ethane.
What is the SMILES notation for 5-butyl-2-methyltetrazole;ethane?
The canonical SMILES for 5-butyl-2-methyltetrazole;ethane is CC.CCCCc1nnn(C)n1.
What is the InChIKey of 5-butyl-2-methyltetrazole;ethane?
The InChIKey is XAZZFNRPFGBWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.C2H6/c1-3-4-5-6-7-9-10(2)8-6;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of 5-butyl-2-methyltetrazole;ethane?
5-butyl-2-methyltetrazole;ethane has a molecular weight of 170.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyltetrazole;ethane is sourced from PubChem (CID 144800630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).