1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole

C11H12N8 — CID 171317665

IUPAC1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
SMILESCCn1nnnc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H12N8/c1-2-18-10(12-15-17-18)8-19-14-11(13-16-19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyHIRKJFQYEBCOPQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.39
Rot. Bonds4

About 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole

1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole (PubChem CID 171317665) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole.

Molecular Properties

Compound Name1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
PubChem CID171317665
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
SMILESCCn1nnnc1Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H12N8/c1-2-18-10(12-15-17-18)8-19-14-11(13-16-19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyHIRKJFQYEBCOPQ-UHFFFAOYSA-N
XLogP0.39
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-tert-butyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317663
1-butyl-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]tetrazole
CID 7716257
4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 859976
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-methylsulfanyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-thiadiazole
CID 47772330
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
CID 103054482
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
N-methyl-2-[(5-phenyltetrazol-2-yl)methyl]pyridin-4-amine
CID 79251622

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole?
The IUPAC name of 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole (CID 171317665) is 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole.
What is the SMILES notation for 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole?
The canonical SMILES for 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole is CCn1nnnc1Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole?
The InChIKey is HIRKJFQYEBCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-2-18-10(12-15-17-18)8-19-14-11(13-16-19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole?
1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole has a molecular weight of 256.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole is sourced from PubChem (CID 171317665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).