1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole

C12H8N6 — CID 70109780

IUPAC1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(-n3ncnn3)nccc12
InChIInChI=1S/C12H8N6/c1-2-4-10-8(3-1)9-5-6-13-12(11(9)16-10)18-15-7-14-17-18/h1-7,16H
InChIKeyQSXBJESDDMJAKI-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.69
Rot. Bonds1

About 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole

1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole (PubChem CID 70109780) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole
PubChem CID70109780
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(-n3ncnn3)nccc12
InChIInChI=1S/C12H8N6/c1-2-4-10-8(3-1)9-5-6-13-12(11(9)16-10)18-15-7-14-17-18/h1-7,16H
InChIKeyQSXBJESDDMJAKI-UHFFFAOYSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
N-(9H-pyrido[3,4-b]indol-1-yl)formamide
CID 174580946
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257090
1-(1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 132601824
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175324734
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060

Frequently Asked Questions

What is the IUPAC name of 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole (CID 70109780) is 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1c(-n3ncnn3)nccc12.
What is the InChIKey of 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is QSXBJESDDMJAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-2-4-10-8(3-1)9-5-6-13-12(11(9)16-10)18-15-7-14-17-18/h1-7,16H.
What are the key properties of 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole?
1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 236.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazol-2-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 70109780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).