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

C19H29N11 — CID 159202278

IUPAC2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccn[nH]1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncn[nH]1
InChIInChI=1S/4C4H6N2.C3H5N3/c1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3/h4*2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6)
InChIKeyKPLBOZRYVUCGOQ-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.99
Rot. Bonds

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

2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole (PubChem CID 159202278) has the molecular formula C19H29N11 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
PubChem CID159202278
Molecular FormulaC19H29N11
Molecular Weight411.52 g/mol
Exact Mass411.26
IUPAC Name2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccn[nH]1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncn[nH]1
InChIInChI=1S/4C4H6N2.C3H5N3/c1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3/h4*2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6)
InChIKeyKPLBOZRYVUCGOQ-UHFFFAOYSA-N
XLogP2.99
TPSA156.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole (CID 159202278) is 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole is Cc1ccn[nH]1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncn[nH]1.
What is the InChIKey of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is KPLBOZRYVUCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.C3H5N3/c1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3/h4*2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6).
What are the key properties of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 411.52 g/mol, XLogP of 2.99, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159202278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).