1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole

C20H24N20 — CID 162063126

IUPAC1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/C5H4N4.C5H5N.2C3H4N2.C2H3N3.2CH2N4/c1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-3H,(H,6,7,8,9);1-5H;2*1-3H,(H,4,5);1-2H,(H,3,4,5);2*1H,(H,2,3,4,5)
InChIKeyZACIMGIDBKAKLW-UHFFFAOYSA-N
MW544.55 g/mol
LogP0.46
Rot. Bonds

About 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole

1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole (PubChem CID 162063126) has the molecular formula C20H24N20 and a molecular weight of 544.55 g/mol. Its IUPAC name is 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole
PubChem CID162063126
Molecular FormulaC20H24N20
Molecular Weight544.55 g/mol
Exact Mass544.25
IUPAC Name1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1nn[nH]n1.c1nn[nH]n1
InChIInChI=1S/C5H4N4.C5H5N.2C3H4N2.C2H3N3.2CH2N4/c1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-3H,(H,6,7,8,9);1-5H;2*1-3H,(H,4,5);1-2H,(H,3,4,5);2*1H,(H,2,3,4,5)
InChIKeyZACIMGIDBKAKLW-UHFFFAOYSA-N
XLogP0.46
TPSA275.20 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500544.55
LogP ≤ 50.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole (CID 162063126) is 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole is c1c[nH]cn1.c1ccncc1.c1cn[nH]c1.c1nc[nH]n1.c1ncc2[nH]cnc2n1.c1nn[nH]n1.c1nn[nH]n1.
What is the InChIKey of 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole?
The InChIKey is ZACIMGIDBKAKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C5H5N.2C3H4N2.C2H3N3.2CH2N4/c1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h1-3H,(H,6,7,8,9);1-5H;2*1-3H,(H,4,5);1-2H,(H,3,4,5);2*1H,(H,2,3,4,5).
What are the key properties of 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole?
1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole has a molecular weight of 544.55 g/mol, XLogP of 0.46, 0 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;7H-purine;1H-pyrazole;pyridine;bis(2H-tetrazole);1H-1,2,4-triazole is sourced from PubChem (CID 162063126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).