5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine

C9H11ClN6 — CID 63390485

IUPAC5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESClCC1CCN(c2cncc3nnnn23)C1
InChIInChI=1S/C9H11ClN6/c10-3-7-1-2-15(6-7)9-5-11-4-8-12-13-14-16(8)9/h4-5,7H,1-3,6H2
InChIKeyZUALFSIFZPEXOR-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.58
Rot. Bonds2

About 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine

5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 63390485) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID63390485
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESClCC1CCN(c2cncc3nnnn23)C1
InChIInChI=1S/C9H11ClN6/c10-3-7-1-2-15(6-7)9-5-11-4-8-12-13-14-16(8)9/h4-5,7H,1-3,6H2
InChIKeyZUALFSIFZPEXOR-UHFFFAOYSA-N
XLogP0.58
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.58
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

2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid
CID 62690088
[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine
CID 114961729
N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine
CID 62592707
5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 106838475
5-[(3S)-3-methylpiperazin-1-yl]tetrazolo[1,5-a]pyrazine
CID 104977511
5-[2-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 63389789
5-[4-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]tetrazolo[1,5-a]pyrazine
CID 167768308
5-piperazin-1-yltetrazolo[1,5-a]pyrazine;dihydrochloride
CID 146049763
5-(3-piperazin-1-ylazetidin-1-yl)tetrazolo[1,5-a]pyrazine
CID 66196007
5-[2-(2-chloropropyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 112748206
N-methyl-1-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-2-yl]methanamine
CID 62588010
2-[4-(tetrazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butanethioamide
CID 63342412

Frequently Asked Questions

What is the IUPAC name of 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 63390485) is 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is ClCC1CCN(c2cncc3nnnn23)C1.
What is the InChIKey of 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is ZUALFSIFZPEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c10-3-7-1-2-15(6-7)9-5-11-4-8-12-13-14-16(8)9/h4-5,7H,1-3,6H2.
What are the key properties of 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine?
5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 238.68 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 63390485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).