4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole

C15H22N12 — CID 158490207

IUPAC4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole
SMILESCc1cn[nH]c1C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1
InChIInChI=1S/C5H8N2.2C3H4N2.2C2H3N3/c1-4-3-6-7-5(4)2;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h3H,1-2H3,(H,6,7);2*1-3H,(H,4,5);2*1-2H,(H,3,4,5)
InChIKeyHIPJEECFFFSNID-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.46
Rot. Bonds

About 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole

4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 158490207) has the molecular formula C15H22N12 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole
PubChem CID158490207
Molecular FormulaC15H22N12
Molecular Weight370.43 g/mol
Exact Mass370.21
IUPAC Name4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole
SMILESCc1cn[nH]c1C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1
InChIInChI=1S/C5H8N2.2C3H4N2.2C2H3N3/c1-4-3-6-7-5(4)2;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h3H,1-2H3,(H,6,7);2*1-3H,(H,4,5);2*1-2H,(H,3,4,5)
InChIKeyHIPJEECFFFSNID-UHFFFAOYSA-N
XLogP1.46
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole (CID 158490207) is 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole is Cc1cn[nH]c1C.c1c[nH]cn1.c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1.
What is the InChIKey of 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
The InChIKey is HIPJEECFFFSNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.2C3H4N2.2C2H3N3/c1-4-3-6-7-5(4)2;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h3H,1-2H3,(H,6,7);2*1-3H,(H,4,5);2*1-2H,(H,3,4,5).
What are the key properties of 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 370.43 g/mol, XLogP of 1.46, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrazole;1H-imidazole;1H-pyrazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158490207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).