3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine

C10H10N8 — CID 71477343

IUPAC3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine
SMILESCc1cnc(-c2nnc(-c3ncc(C)[nH]3)nn2)[nH]1
InChIInChI=1S/C10H10N8/c1-5-3-11-7(13-5)9-15-17-10(18-16-9)8-12-4-6(2)14-8/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyNGMHTEDSSHAFGW-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.66
Rot. Bonds2

About 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine

3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine (PubChem CID 71477343) has the molecular formula C10H10N8 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine
PubChem CID71477343
Molecular FormulaC10H10N8
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine
SMILESCc1cnc(-c2nnc(-c3ncc(C)[nH]3)nn2)[nH]1
InChIInChI=1S/C10H10N8/c1-5-3-11-7(13-5)9-15-17-10(18-16-9)8-12-4-6(2)14-8/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyNGMHTEDSSHAFGW-UHFFFAOYSA-N
XLogP0.66
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine (CID 71477343) is 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine is Cc1cnc(-c2nnc(-c3ncc(C)[nH]3)nn2)[nH]1.
What is the InChIKey of 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine?
The InChIKey is NGMHTEDSSHAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8/c1-5-3-11-7(13-5)9-15-17-10(18-16-9)8-12-4-6(2)14-8/h3-4H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine?
3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine has a molecular weight of 242.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(5-methyl-1H-imidazol-2-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 71477343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).