3-methyl-6-propan-2-yl-1,2,4,5-tetrazine

C6H10N4 — CID 58126553

IUPAC3-methyl-6-propan-2-yl-1,2,4,5-tetrazine
SMILESCc1nnc(C(C)C)nn1
InChIInChI=1S/C6H10N4/c1-4(2)6-9-7-5(3)8-10-6/h4H,1-3H3
InChIKeyLEWLJUJLDRGYQR-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.70
Rot. Bonds1

About 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine

3-methyl-6-propan-2-yl-1,2,4,5-tetrazine (PubChem CID 58126553) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1,2,4,5-tetrazine
PubChem CID58126553
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name3-methyl-6-propan-2-yl-1,2,4,5-tetrazine
SMILESCc1nnc(C(C)C)nn1
InChIInChI=1S/C6H10N4/c1-4(2)6-9-7-5(3)8-10-6/h4H,1-3H3
InChIKeyLEWLJUJLDRGYQR-UHFFFAOYSA-N
XLogP0.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine?
The IUPAC name of 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine (CID 58126553) is 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine is Cc1nnc(C(C)C)nn1.
What is the InChIKey of 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine?
The InChIKey is LEWLJUJLDRGYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4(2)6-9-7-5(3)8-10-6/h4H,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine?
3-methyl-6-propan-2-yl-1,2,4,5-tetrazine has a molecular weight of 138.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 58126553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).