5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine

C6H13N5O — CID 103019724

IUPAC5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine
SMILESCOC(C)(C)c1nnc(N)n1N
InChIInChI=1S/C6H13N5O/c1-6(2,12-3)4-9-10-5(7)11(4)8/h8H2,1-3H3,(H2,7,10)
InChIKeyXQQHLKLYEJTPNE-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.54
Rot. Bonds2

About 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine

5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine (PubChem CID 103019724) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine
PubChem CID103019724
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine
SMILESCOC(C)(C)c1nnc(N)n1N
InChIInChI=1S/C6H13N5O/c1-6(2,12-3)4-9-10-5(7)11(4)8/h8H2,1-3H3,(H2,7,10)
InChIKeyXQQHLKLYEJTPNE-UHFFFAOYSA-N
XLogP-0.54
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine (CID 103019724) is 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine is COC(C)(C)c1nnc(N)n1N.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine?
The InChIKey is XQQHLKLYEJTPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O/c1-6(2,12-3)4-9-10-5(7)11(4)8/h8H2,1-3H3,(H2,7,10).
What are the key properties of 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine?
5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine has a molecular weight of 171.20 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 103019724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).