2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine

C11H17N5 — CID 65261811

IUPAC2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine
SMILESCC(C)(N)C(C)(C)c1nnc2ncccn12
InChIInChI=1S/C11H17N5/c1-10(2,11(3,4)12)8-14-15-9-13-6-5-7-16(8)9/h5-7H,12H2,1-4H3
InChIKeyVSTNWHIUUJTKJC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds2

About 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine

2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine (PubChem CID 65261811) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine
PubChem CID65261811
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine
SMILESCC(C)(N)C(C)(C)c1nnc2ncccn12
InChIInChI=1S/C11H17N5/c1-10(2,11(3,4)12)8-14-15-9-13-6-5-7-16(8)9/h5-7H,12H2,1-4H3
InChIKeyVSTNWHIUUJTKJC-UHFFFAOYSA-N
XLogP1.14
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine (CID 65261811) is 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine is CC(C)(N)C(C)(C)c1nnc2ncccn12.
What is the InChIKey of 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine?
The InChIKey is VSTNWHIUUJTKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-10(2,11(3,4)12)8-14-15-9-13-6-5-7-16(8)9/h5-7H,12H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine?
2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-2-amine is sourced from PubChem (CID 65261811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).