N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine
C33H58N32O5 — CID 158836289
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine
SMILESCNc1ccn[nH]1.CNc1ccon1.CNc1cn[nH]c1.CNc1cn[nH]n1.CNc1cnon1.CNc1cocn1.CNc1conn1.CNc1conn1.CNc1ncn[nH]1.CNc1nn[nH]n1
InChIInChI=1S/2C4H7N3.2C4H6N2O.2C3H6N4.3C3H5N3O.C2H5N5/c1-5-4-2-6-7-3-4;1-5-4-2-3-6-7-4;1-5-4-2-7-3-6-4;1-5-4-2-3-7-6-4;1-4-3-5-2-6-7-3;1-4-3-2-5-7-6-3;2*1-4-3-2-7-6-5-3;1-4-3-2-5-7-6-3;1-3-2-4-6-7-5-2/h2-3,5H,1H3,(H,6,7);2-3H,1H3,(H2,5,6,7);2-3,5H,1H3;2-3H,1H3,(H,5,6);2*2H,1H3,(H2,4,5,6,7);2*2,4H,1H3;2H,1H3,(H,4,6);1H3,(H2,3,4,5,6,7)
InChIKeyIXRJFWFVGOHRCX-UHFFFAOYSA-N
MW983.05 g/mol
LogP1.60
Rot. Bonds10
About N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine
N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine (PubChem CID 158836289) has the molecular formula C33H58N32O5 and a molecular weight of 983.05 g/mol. Its IUPAC name is N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine.
Molecular Properties
| Compound Name | N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine |
|---|---|
| PubChem CID | 158836289 |
| Molecular Formula | C33H58N32O5 |
| Molecular Weight | 983.05 g/mol |
| Exact Mass | 982.53 |
| IUPAC Name | N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine |
| SMILES | CNc1ccn[nH]1.CNc1ccon1.CNc1cn[nH]c1.CNc1cn[nH]n1.CNc1cnon1.CNc1cocn1.CNc1conn1.CNc1conn1.CNc1ncn[nH]1.CNc1nn[nH]n1 |
| InChI | InChI=1S/2C4H7N3.2C4H6N2O.2C3H6N4.3C3H5N3O.C2H5N5/c1-5-4-2-6-7-3-4;1-5-4-2-3-6-7-4;1-5-4-2-7-3-6-4;1-5-4-2-3-7-6-4;1-4-3-5-2-6-7-3;1-4-3-2-5-7-6-3;2*1-4-3-2-7-6-5-3;1-4-3-2-5-7-6-3;1-3-2-4-6-7-5-2/h2-3,5H,1H3,(H,6,7);2-3H,1H3,(H2,5,6,7);2-3,5H,1H3;2-3H,1H3,(H,5,6);2*2H,1H3,(H2,4,5,6,7);2*2,4H,1H3;2H,1H3,(H,4,6);1H3,(H2,3,4,5,6,7) |
| InChIKey | IXRJFWFVGOHRCX-UHFFFAOYSA-N |
| XLogP | 1.60 |
| TPSA | 484.08 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 70 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 983.05 |
| LogP ≤ 5 | 1.60 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 32 |
Frequently Asked Questions
What is the IUPAC name of N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine?
The IUPAC name of N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine (CID 158836289) is N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine.
What is the SMILES notation for N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine?
The canonical SMILES for N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine is CNc1ccn[nH]1.CNc1ccon1.CNc1cn[nH]c1.CNc1cn[nH]n1.CNc1cnon1.CNc1cocn1.CNc1conn1.CNc1conn1.CNc1ncn[nH]1.CNc1nn[nH]n1.
What is the InChIKey of N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine?
The InChIKey is IXRJFWFVGOHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N3.2C4H6N2O.2C3H6N4.3C3H5N3O.C2H5N5/c1-5-4-2-6-7-3-4;1-5-4-2-3-6-7-4;1-5-4-2-7-3-6-4;1-5-4-2-3-7-6-4;1-4-3-5-2-6-7-3;1-4-3-2-5-7-6-3;2*1-4-3-2-7-6-5-3;1-4-3-2-5-7-6-3;1-3-2-4-6-7-5-2/h2-3,5H,1H3,(H,6,7);2-3H,1H3,(H2,5,6,7);2-3,5H,1H3;2-3H,1H3,(H,5,6);2*2H,1H3,(H2,4,5,6,7);2*2,4H,1H3;2H,1H3,(H,4,6);1H3,(H2,3,4,5,6,7).
What are the key properties of N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine?
N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine has a molecular weight of 983.05 g/mol, XLogP of 1.60, 10 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,5-oxadiazol-3-amine;bis(N-methyloxadiazol-4-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-1,3-oxazol-4-amine;N-methyl-1H-pyrazol-4-amine;N-methyl-1H-pyrazol-5-amine;N-methyl-2H-tetrazol-5-amine;N-methyl-1H-1,2,4-triazol-5-amine;N-methyl-2H-triazol-4-amine is sourced from PubChem (CID 158836289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158836289 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.