2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine

C10H15N5 — CID 61265141

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine
SMILESCc1cc(C)n2c(C(C)(C)N)nnc2n1
InChIInChI=1S/C10H15N5/c1-6-5-7(2)15-8(10(3,4)11)13-14-9(15)12-6/h5H,11H2,1-4H3
InChIKeyWFIJWHFEHCYILZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.93
Rot. Bonds1

About 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine

2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine (PubChem CID 61265141) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine
PubChem CID61265141
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine
SMILESCc1cc(C)n2c(C(C)(C)N)nnc2n1
InChIInChI=1S/C10H15N5/c1-6-5-7(2)15-8(10(3,4)11)13-14-9(15)12-6/h5H,11H2,1-4H3
InChIKeyWFIJWHFEHCYILZ-UHFFFAOYSA-N
XLogP0.93
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine (CID 61265141) is 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine is Cc1cc(C)n2c(C(C)(C)N)nnc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine?
The InChIKey is WFIJWHFEHCYILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6-5-7(2)15-8(10(3,4)11)13-14-9(15)12-6/h5H,11H2,1-4H3.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine?
2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine has a molecular weight of 205.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propan-2-amine is sourced from PubChem (CID 61265141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).