5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole

C15H11N8- — CID 7276493

IUPAC5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole
SMILESc1ccc(-c2nnn(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1
InChIInChI=1S/C15H11N8/c1-2-6-12(7-3-1)15-18-22-23(19-15)10-11-5-4-8-13(9-11)14-16-20-21-17-14/h1-9H,10H2/q-1
InChIKeyHLVUUKXYEULAGK-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.20
Rot. Bonds4

About 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole

5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole (PubChem CID 7276493) has the molecular formula C15H11N8- and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole
PubChem CID7276493
Molecular FormulaC15H11N8-
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole
SMILESc1ccc(-c2nnn(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1
InChIInChI=1S/C15H11N8/c1-2-6-12(7-3-1)15-18-22-23(19-15)10-11-5-4-8-13(9-11)14-16-20-21-17-14/h1-9H,10H2/q-1
InChIKeyHLVUUKXYEULAGK-UHFFFAOYSA-N
XLogP1.20
TPSA96.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole with MolForge

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
[4-[(5-phenyltetrazol-2-yl)methyl]-2-pyridinyl]hydrazine
CID 62471223
3-bromo-5-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 103350064
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-[(5-nitrothiophen-3-yl)methyl]-5-phenyltetrazole
CID 47254678
1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317665
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole?
The IUPAC name of 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole (CID 7276493) is 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole.
What is the SMILES notation for 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole?
The canonical SMILES for 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole is c1ccc(-c2nnn(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1.
What is the InChIKey of 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole?
The InChIKey is HLVUUKXYEULAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N8/c1-2-6-12(7-3-1)15-18-22-23(19-15)10-11-5-4-8-13(9-11)14-16-20-21-17-14/h1-9H,10H2/q-1.
What are the key properties of 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole?
5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole has a molecular weight of 303.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]tetrazole is sourced from PubChem (CID 7276493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).