4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane

C10H23N5O — CID 19106312

IUPAC4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane
SMILESCCCC(C)C.CN(C)c1n[nH]c(=O)n1N
InChIInChI=1S/C6H14.C4H9N5O/c1-4-5-6(2)3;1-8(2)3-6-7-4(10)9(3)5/h6H,4-5H2,1-3H3;5H2,1-2H3,(H,7,10)
InChIKeyNTMXYFPZVMVGBQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP0.79
Rot. Bonds3

About 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane

4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane (PubChem CID 19106312) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane.

Molecular Properties

Compound Name4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane
PubChem CID19106312
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC Name4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane
SMILESCCCC(C)C.CN(C)c1n[nH]c(=O)n1N
InChIInChI=1S/C6H14.C4H9N5O/c1-4-5-6(2)3;1-8(2)3-6-7-4(10)9(3)5/h6H,4-5H2,1-3H3;5H2,1-2H3,(H,7,10)
InChIKeyNTMXYFPZVMVGBQ-UHFFFAOYSA-N
XLogP0.79
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane?
The IUPAC name of 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane (CID 19106312) is 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane.
What is the SMILES notation for 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane?
The canonical SMILES for 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane is CCCC(C)C.CN(C)c1n[nH]c(=O)n1N.
What is the InChIKey of 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane?
The InChIKey is NTMXYFPZVMVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H9N5O/c1-4-5-6(2)3;1-8(2)3-6-7-4(10)9(3)5/h6H,4-5H2,1-3H3;5H2,1-2H3,(H,7,10).
What are the key properties of 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane?
4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane has a molecular weight of 229.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(dimethylamino)-1H-1,2,4-triazol-5-one;2-methylpentane is sourced from PubChem (CID 19106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).