6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine

C12H11N9 — CID 18408613

IUPAC6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine
SMILESC1=NCN(c2ccn(-c3nn[nH]n3)c2)C(c2ncc[nH]2)=C1
InChIInChI=1S/C12H11N9/c1-3-13-8-21(10(1)11-14-4-5-15-11)9-2-6-20(7-9)12-16-18-19-17-12/h1-7H,8H2,(H,14,15)(H,16,17,18,19)
InChIKeyDKCYKCLSNQMTJQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.60
Rot. Bonds3

About 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine

6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine (PubChem CID 18408613) has the molecular formula C12H11N9 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine
PubChem CID18408613
Molecular FormulaC12H11N9
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine
SMILESC1=NCN(c2ccn(-c3nn[nH]n3)c2)C(c2ncc[nH]2)=C1
InChIInChI=1S/C12H11N9/c1-3-13-8-21(10(1)11-14-4-5-15-11)9-2-6-20(7-9)12-16-18-19-17-12/h1-7H,8H2,(H,14,15)(H,16,17,18,19)
InChIKeyDKCYKCLSNQMTJQ-UHFFFAOYSA-N
XLogP0.60
TPSA103.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1h-Pyrrol-3-yl)-1h-imidazole
CID 129860124
Azolo[5,1-b]purine
CID 129873950
2-N-(1H-pyrrol-2-yl)-1H-pyrrole-2,3-diamine
CID 57191235
12-Methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58010091
6h-Imidazo[1,5-a]pyrrolo[2,3-e]pyrazine-1-ethanamine
CID 58010154
12-Methyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58010292
1,5,7,11-Tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382169
8-((2R,4S)-4-azido-2-ethylpyrrolidin-1-yl)-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine
CID 58558006
2-(pyrrol-1-ylmethyl)-1H-imidazole
CID 64530557
5-(2-pyrrol-1-ylethyl)-1H-imidazole
CID 65232089
1,5,7,11-Tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine
CID 67216886
2,3-di(pyrrol-1-yl)-1H-pyrrole
CID 67522277

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine?
The IUPAC name of 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine (CID 18408613) is 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine?
The canonical SMILES for 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine is C1=NCN(c2ccn(-c3nn[nH]n3)c2)C(c2ncc[nH]2)=C1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine?
The InChIKey is DKCYKCLSNQMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N9/c1-3-13-8-21(10(1)11-14-4-5-15-11)9-2-6-20(7-9)12-16-18-19-17-12/h1-7H,8H2,(H,14,15)(H,16,17,18,19).
What are the key properties of 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine?
6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine has a molecular weight of 281.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-1-[1-(2H-tetrazol-5-yl)pyrrol-3-yl]-2H-pyrimidine is sourced from PubChem (CID 18408613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).