5-(4-chloropentyl)-2-methyltetrazole

C7H13ClN4 — CID 107055052

IUPAC5-(4-chloropentyl)-2-methyltetrazole
SMILESCC(Cl)CCCc1nnn(C)n1
InChIInChI=1S/C7H13ClN4/c1-6(8)4-3-5-7-9-11-12(2)10-7/h6H,3-5H2,1-2H3
InChIKeyVAJCIGCYQKYBBJ-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.16
Rot. Bonds4

About 5-(4-chloropentyl)-2-methyltetrazole

5-(4-chloropentyl)-2-methyltetrazole (PubChem CID 107055052) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is 5-(4-chloropentyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(4-chloropentyl)-2-methyltetrazole
PubChem CID107055052
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC Name5-(4-chloropentyl)-2-methyltetrazole
SMILESCC(Cl)CCCc1nnn(C)n1
InChIInChI=1S/C7H13ClN4/c1-6(8)4-3-5-7-9-11-12(2)10-7/h6H,3-5H2,1-2H3
InChIKeyVAJCIGCYQKYBBJ-UHFFFAOYSA-N
XLogP1.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054841
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
5-butyl-2-methyltetrazole;ethane
CID 144800630
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382
5-(4-bromobutyl)-2-methyltetrazole
CID 107055081
N,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-amine
CID 107044605
N,2-dimethyl-4-(2-methyltetrazol-5-yl)butan-1-amine
CID 107054920
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
trimethyl-[2-(2-methyltetrazol-5-yl)ethyl]azanium
CID 915091
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropentyl)-2-methyltetrazole?
The IUPAC name of 5-(4-chloropentyl)-2-methyltetrazole (CID 107055052) is 5-(4-chloropentyl)-2-methyltetrazole.
What is the SMILES notation for 5-(4-chloropentyl)-2-methyltetrazole?
The canonical SMILES for 5-(4-chloropentyl)-2-methyltetrazole is CC(Cl)CCCc1nnn(C)n1.
What is the InChIKey of 5-(4-chloropentyl)-2-methyltetrazole?
The InChIKey is VAJCIGCYQKYBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN4/c1-6(8)4-3-5-7-9-11-12(2)10-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-(4-chloropentyl)-2-methyltetrazole?
5-(4-chloropentyl)-2-methyltetrazole has a molecular weight of 188.66 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropentyl)-2-methyltetrazole is sourced from PubChem (CID 107055052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).