1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine

C42H69N29O4S4 — CID 158342755

About 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine

1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine (PubChem CID 158342755) has the molecular formula C42H69N29O4S4 and a molecular weight of 1172.48 g/mol. Its IUPAC name is 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine.

Molecular Properties

• Compound Name: 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine
• PubChem CID: 158342755
• Molecular Formula: C42H69N29O4S4
• Molecular Weight: 1172.48 g/mol
• Exact Mass: 1171.50
• IUPAC Name: 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine
• SMILES: Cn1ccc(CN)n1.Cn1cnc(CN)c1.NCc1ccon1.NCc1ccsn1.NCc1cnc[nH]1.NCc1cnon1.NCc1cnsn1.NCc1cocn1.NCc1cscn1.NCc1nnco1.NCc1nncs1
• InChI: InChI=1S/2C5H9N3.C4H7N3.2C4H6N2O.2C4H6N2S.2C3H5N3O.2C3H5N3S/c1-8-3-5(2-6)7-4-8;1-8-3-2-5(4-6)7-8;5-1-4-2-6-3-7-4;5-1-4-2-7-3-6-4;5-3-4-1-2-7-6-4;5-1-4-2-7-3-6-4;5-3-4-1-2-7-6-4;4-1-3-6-5-2-7-3;4-1-3-2-5-7-6-3;4-1-3-6-5-2-7-3;4-1-3-2-5-7-6-3/h3-4H,2,6H2,1H3;2-3H,4,6H2,1H3;2-3H,1,5H2,(H,6,7);2-3H,1,5H2;1-2H,3,5H2;2-3H,1,5H2;1-2H,3,5H2;4*2H,1,4H2
• InChIKey: GRIYQVCHELNBKF-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 557.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1172.48
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine?

The IUPAC name of 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine (CID 158342755) is 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine.

What is the SMILES notation for 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine?

The canonical SMILES for 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine is Cn1ccc(CN)n1.Cn1cnc(CN)c1.NCc1ccon1.NCc1ccsn1.NCc1cnc[nH]1.NCc1cnon1.NCc1cnsn1.NCc1cocn1.NCc1cscn1.NCc1nnco1.NCc1nncs1.

What is the InChIKey of 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine?

The InChIKey is GRIYQVCHELNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N3.C4H7N3.2C4H6N2O.2C4H6N2S.2C3H5N3O.2C3H5N3S/c1-8-3-5(2-6)7-4-8;1-8-3-2-5(4-6)7-8;5-1-4-2-6-3-7-4;5-1-4-2-7-3-6-4;5-3-4-1-2-7-6-4;5-1-4-2-7-3-6-4;5-3-4-1-2-7-6-4;4-1-3-6-5-2-7-3;4-1-3-2-5-7-6-3;4-1-3-6-5-2-7-3;4-1-3-2-5-7-6-3/h3-4H,2,6H2,1H3;2-3H,4,6H2,1H3;2-3H,1,5H2,(H,6,7);2-3H,1,5H2;1-2H,3,5H2;2-3H,1,5H2;1-2H,3,5H2;4*2H,1,4H2.

What are the key properties of 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine?

1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine has a molecular weight of 1172.48 g/mol, XLogP of 0.15, 11 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-imidazol-5-ylmethanamine;(1-methylimidazol-4-yl)methanamine;(1-methylpyrazol-3-yl)methanamine;1,2,5-oxadiazol-3-ylmethanamine;1,3,4-oxadiazol-2-ylmethanamine;1,2-oxazol-3-ylmethanamine;1,3-oxazol-4-ylmethanamine;1,2,5-thiadiazol-3-ylmethanamine;1,3,4-thiadiazol-2-ylmethanamine;1,2-thiazol-3-ylmethanamine;1,3-thiazol-4-ylmethanamine is sourced from PubChem (CID 158342755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).