2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine

C12H9ClN6 — CID 103054482

IUPAC2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
SMILESClc1cnc(Cn2nnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C12H9ClN6/c13-11-7-14-10(6-15-11)8-19-17-12(16-18-19)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNOCRDUYLOFNIRP-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine

2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine (PubChem CID 103054482) has the molecular formula C12H9ClN6 and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
PubChem CID103054482
Molecular FormulaC12H9ClN6
Molecular Weight272.70 g/mol
Exact Mass272.06
IUPAC Name2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
SMILESClc1cnc(Cn2nnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C12H9ClN6/c13-11-7-14-10(6-15-11)8-19-17-12(16-18-19)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNOCRDUYLOFNIRP-UHFFFAOYSA-N
XLogP1.83
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
CID 162443610
N-methyl-2-[(5-phenyltetrazol-2-yl)methyl]pyridin-4-amine
CID 79251622
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline
CID 7594689
5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8643026
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598063
[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine (CID 103054482) is 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine is Clc1cnc(Cn2nnc(-c3ccccc3)n2)cn1.
What is the InChIKey of 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine?
The InChIKey is NOCRDUYLOFNIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6/c13-11-7-14-10(6-15-11)8-19-17-12(16-18-19)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine?
2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine has a molecular weight of 272.70 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine is sourced from PubChem (CID 103054482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).