1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole

C13H16N12S — CID 162045783

IUPAC1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1ccncc1.c1nc[nH]n1.c1nn[nH]n1.c1nncs1
InChIInChI=1S/C5H5N.C3H4N2.C2H3N3.C2H2N2S.CH2N4/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5);1-2H,(H,3,4,5);1-2H;1H,(H,2,3,4,5)
InChIKeyYXWFCRXTSIKEJA-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.03
Rot. Bonds

About 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole

1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole (PubChem CID 162045783) has the molecular formula C13H16N12S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole
PubChem CID162045783
Molecular FormulaC13H16N12S
Molecular Weight372.42 g/mol
Exact Mass372.13
IUPAC Name1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1ccncc1.c1nc[nH]n1.c1nn[nH]n1.c1nncs1
InChIInChI=1S/C5H5N.C3H4N2.C2H3N3.C2H2N2S.CH2N4/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5);1-2H,(H,3,4,5);1-2H;1H,(H,2,3,4,5)
InChIKeyYXWFCRXTSIKEJA-UHFFFAOYSA-N
XLogP1.03
TPSA163.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole (CID 162045783) is 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole is c1c[nH]cn1.c1ccncc1.c1nc[nH]n1.c1nn[nH]n1.c1nncs1.
What is the InChIKey of 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole?
The InChIKey is YXWFCRXTSIKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H4N2.C2H3N3.C2H2N2S.CH2N4/c1-2-4-6-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-3-4-2-5-1;1-2-4-5-3-1/h1-5H;1-3H,(H,4,5);1-2H,(H,3,4,5);1-2H;1H,(H,2,3,4,5).
What are the key properties of 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole?
1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole has a molecular weight of 372.42 g/mol, XLogP of 1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1H-1,2,4-triazole is sourced from PubChem (CID 162045783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).