1-benzyl-5-chlorotetrazole

C8H7ClN4 — CID 46835417

IUPAC1-benzyl-5-chlorotetrazole
SMILESClc1nnnn1Cc1ccccc1
InChIInChI=1S/C8H7ClN4/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySTUMNCBWPKVUBH-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.37
Rot. Bonds2

About 1-benzyl-5-chlorotetrazole

1-benzyl-5-chlorotetrazole (PubChem CID 46835417) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 1-benzyl-5-chlorotetrazole.

Molecular Properties

Compound Name1-benzyl-5-chlorotetrazole
PubChem CID46835417
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name1-benzyl-5-chlorotetrazole
SMILESClc1nnnn1Cc1ccccc1
InChIInChI=1S/C8H7ClN4/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySTUMNCBWPKVUBH-UHFFFAOYSA-N
XLogP1.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-(trichloromethyl)tetrazole
CID 69032127
1-benzyltetrazole-5-carboxamide
CID 122714819
1-benzyl-5-(5-chlorothiophen-2-yl)tetrazole
CID 11673524
1-(1-benzyltetrazol-5-yl)-1-methylhydrazine
CID 155369783
2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole
CID 132581373
[1-(1-benzyltetrazol-5-yl)-2-phenylethyl]hydrazine
CID 132531197

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chlorotetrazole?
The IUPAC name of 1-benzyl-5-chlorotetrazole (CID 46835417) is 1-benzyl-5-chlorotetrazole.
What is the SMILES notation for 1-benzyl-5-chlorotetrazole?
The canonical SMILES for 1-benzyl-5-chlorotetrazole is Clc1nnnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chlorotetrazole?
The InChIKey is STUMNCBWPKVUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1-benzyl-5-chlorotetrazole?
1-benzyl-5-chlorotetrazole has a molecular weight of 194.63 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chlorotetrazole is sourced from PubChem (CID 46835417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).