6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C7H10N6 — CID 67471484

IUPAC6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1nnc2nnc(C(C)C)n2n1
InChIInChI=1S/C7H10N6/c1-4(2)6-9-11-7-10-8-5(3)12-13(6)7/h4H,1-3H3
InChIKeyDEWJNTHDLUKCLR-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.35
Rot. Bonds1

About 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 67471484) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID67471484
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1nnc2nnc(C(C)C)n2n1
InChIInChI=1S/C7H10N6/c1-4(2)6-9-11-7-10-8-5(3)12-13(6)7/h4H,1-3H3
InChIKeyDEWJNTHDLUKCLR-UHFFFAOYSA-N
XLogP0.35
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 67471484) is 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Cc1nnc2nnc(C(C)C)n2n1.
What is the InChIKey of 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is DEWJNTHDLUKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-4(2)6-9-11-7-10-8-5(3)12-13(6)7/h4H,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 178.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 67471484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).