N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine

C11H15BrN6 — CID 102637677

IUPACN-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
SMILESCN(c1cncc2nnnn12)C1CCCCC1Br
InChIInChI=1S/C11H15BrN6/c1-17(9-5-3-2-4-8(9)12)11-7-13-6-10-14-15-16-18(10)11/h6-9H,2-5H2,1H3
InChIKeyLVUAMLMIYAZCBZ-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.66
Rot. Bonds2

About N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine

N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 102637677) has the molecular formula C11H15BrN6 and a molecular weight of 311.19 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
PubChem CID102637677
Molecular FormulaC11H15BrN6
Molecular Weight311.19 g/mol
Exact Mass310.05
IUPAC NameN-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine
SMILESCN(c1cncc2nnnn12)C1CCCCC1Br
InChIInChI=1S/C11H15BrN6/c1-17(9-5-3-2-4-8(9)12)11-7-13-6-10-14-15-16-18(10)11/h6-9H,2-5H2,1H3
InChIKeyLVUAMLMIYAZCBZ-UHFFFAOYSA-N
XLogP1.66
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine (CID 102637677) is N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine is CN(c1cncc2nnnn12)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is LVUAMLMIYAZCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6/c1-17(9-5-3-2-4-8(9)12)11-7-13-6-10-14-15-16-18(10)11/h6-9H,2-5H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine?
N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 311.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methyltetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 102637677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).