3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole

C9H10N6 — CID 123784786

IUPAC3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole
SMILESC1=NNN(c2ccc[nH]2)N1c1ccc[nH]1
InChIInChI=1S/C9H10N6/c1-3-8(10-5-1)14-7-12-13-15(14)9-4-2-6-11-9/h1-7,10-11,13H
InChIKeyHHUBUCZYSPWZLA-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.03
Rot. Bonds2

About 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole

3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole (PubChem CID 123784786) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole
PubChem CID123784786
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole
SMILESC1=NNN(c2ccc[nH]2)N1c1ccc[nH]1
InChIInChI=1S/C9H10N6/c1-3-8(10-5-1)14-7-12-13-15(14)9-4-2-6-11-9/h1-7,10-11,13H
InChIKeyHHUBUCZYSPWZLA-UHFFFAOYSA-N
XLogP1.03
TPSA62.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Dimethylaminopyrrole
CID 15826366
N-Methyl-1H-pyrrol-2-amine
CID 17805735
Pyrrolylpyrrole
CID 21863152
Tetrazol-1-ylazole
CID 53768322
Guanidinopyrrole
CID 57188296
Azolylhydrazine
CID 67965327
Di-(pyrrolyl) amine
CID 68544991
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
CID 69432817
N-(1H-pyrrol-2-yl)-1H-imidazol-2-amine
CID 91560703
Tris(1h-pyrrol-2-yl)amine
CID 133064592
Azodipyrrole
CID 136053758
Pyrrolyl pyrazoline
CID 154487442

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole?
The IUPAC name of 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole (CID 123784786) is 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole.
What is the SMILES notation for 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole?
The canonical SMILES for 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole is C1=NNN(c2ccc[nH]2)N1c1ccc[nH]1.
What is the InChIKey of 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole?
The InChIKey is HHUBUCZYSPWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-3-8(10-5-1)14-7-12-13-15(14)9-4-2-6-11-9/h1-7,10-11,13H.
What are the key properties of 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole?
3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole has a molecular weight of 202.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-pyrrol-2-yl)-2H-tetrazole is sourced from PubChem (CID 123784786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).