1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole

C16H21N9 — CID 157065763

IUPAC1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1
InChIInChI=1S/2C4H5N.2C3H4N2.C2H3N3/c2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-5H;2*1-3H,(H,4,5);1-2H,(H,3,4,5)
InChIKeyABVWUCPYQJMOBJ-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.65
Rot. Bonds

About 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole

1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole (PubChem CID 157065763) has the molecular formula C16H21N9 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole.

Molecular Properties

Compound Name1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole
PubChem CID157065763
Molecular FormulaC16H21N9
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC Name1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1
InChIInChI=1S/2C4H5N.2C3H4N2.C2H3N3/c2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-5H;2*1-3H,(H,4,5);1-2H,(H,3,4,5)
InChIKeyABVWUCPYQJMOBJ-UHFFFAOYSA-N
XLogP2.65
TPSA130.51 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazole;4-methyl-1,4-dihydropyridine;5-methyl-1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;5-(trifluoromethyl)-1H-1,2,4-triazole
CID 158892585
1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;2H-triazole
CID 69966674
1H-imidazole;1H-pyrazole;1H-pyrrole
CID 69966900
4,5,9,10,14,15,22,24-octakis(2,4-dimethyl-1H-imidazol-3-ium-3-yl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CID 122699981
1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
CID 141442220
1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
CID 157052577
1-Propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)
CID 157085236
bis(3-N,3-N-dimethyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine);3-N,4-dimethyl-3-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine;3-N-(1H-pyrrol-2-yl)-1H-1,2,4-triazole-3,5-diamine;3-N,3-N,4-trimethyl-5-N-(1H-pyrrol-2-yl)-1,2,4-triazole-3,5-diamine
CID 157114857
2,5-dimethyltetrazole;ethane;methane;bis(1-methylpyrazole);1-methylpyrrole;1-methyltriazole;2-methyl-1H-1,2,4-triazol-2-ium
CID 157190572
2,3-dihydro-1H-pyrrole;2,5-dihydro-1H-pyrrole;ethane;1H-imidazole;1H-pyrazole;1H-pyrrole
CID 157291737
Ethane;1-methylimidazole;1-methylpyrazole;1-methylpyrrole;1-methyltriazole;2-methyltriazole
CID 157467477
1-ethyl-2-methylimidazole;1-ethylpyrrole;1-ethyl-1,2,4-triazole;5-ethyl-1H-1,2,4-triazole;1,2,5-trimethylimidazole
CID 157547740

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole?
The IUPAC name of 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole (CID 157065763) is 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole.
What is the SMILES notation for 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole?
The canonical SMILES for 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole is c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1cn[nH]c1.c1cn[nH]n1.
What is the InChIKey of 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole?
The InChIKey is ABVWUCPYQJMOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.2C3H4N2.C2H3N3/c2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-5H;2*1-3H,(H,4,5);1-2H,(H,3,4,5).
What are the key properties of 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole?
1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole has a molecular weight of 339.41 g/mol, XLogP of 2.65, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-pyrazole;bis(1H-pyrrole);2H-triazole is sourced from PubChem (CID 157065763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).