5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine

C11H15ClN6 — CID 106838475

IUPAC5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESCC(Cl)C1CCN(c2cncc3nnnn23)CC1
InChIInChI=1S/C11H15ClN6/c1-8(12)9-2-4-17(5-3-9)11-7-13-6-10-14-15-16-18(10)11/h6-9H,2-5H2,1H3
InChIKeyDSHPMVUTIFNDRC-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.36
Rot. Bonds2

About 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine

5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 106838475) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID106838475
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESCC(Cl)C1CCN(c2cncc3nnnn23)CC1
InChIInChI=1S/C11H15ClN6/c1-8(12)9-2-4-17(5-3-9)11-7-13-6-10-14-15-16-18(10)11/h6-9H,2-5H2,1H3
InChIKeyDSHPMVUTIFNDRC-UHFFFAOYSA-N
XLogP1.36
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-[(3R)-3-fluoro-4-methylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 146494647
1-{[1,2,3,4]Tetrazolo[1,5-a]pyrazin-5-yl}-4-(trifluoromethyl)piperidine
CID 163344734
1-{3-Methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}-4-(trifluoromethyl)piperidine
CID 165434495
N-methyl-N-[[1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)piperidin-4-yl]methyl]butan-1-amine
CID 71847620
8-Chloro-3-(2,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294875
8-Chloro-3-(3,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294877
8-Chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
3-(4-Methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295511
3-(6-Azaspiro[2.5]octan-6-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295600
8-Chloro-3-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295630
8-Chloro-3-(2,3-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295657
8-Chloro-3-(2,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295658

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 106838475) is 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine is CC(Cl)C1CCN(c2cncc3nnnn23)CC1.
What is the InChIKey of 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is DSHPMVUTIFNDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-8(12)9-2-4-17(5-3-9)11-7-13-6-10-14-15-16-18(10)11/h6-9H,2-5H2,1H3.
What are the key properties of 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 266.74 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 106838475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).