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

C10H15N5 — CID 79817683

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
SMILESCc1cc2nnc(CCCN)n2c(C)n1
InChIInChI=1S/C10H15N5/c1-7-6-10-14-13-9(4-3-5-11)15(10)8(2)12-7/h6H,3-5,11H2,1-2H3
InChIKeyQCGGTJWUPMZFQE-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.63
Rot. Bonds3

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

3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine (PubChem CID 79817683) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
PubChem CID79817683
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
SMILESCc1cc2nnc(CCCN)n2c(C)n1
InChIInChI=1S/C10H15N5/c1-7-6-10-14-13-9(4-3-5-11)15(10)8(2)12-7/h6H,3-5,11H2,1-2H3
InChIKeyQCGGTJWUPMZFQE-UHFFFAOYSA-N
XLogP0.63
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine (CID 79817683) is 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine is Cc1cc2nnc(CCCN)n2c(C)n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The InChIKey is QCGGTJWUPMZFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7-6-10-14-13-9(4-3-5-11)15(10)8(2)12-7/h6H,3-5,11H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine is sourced from PubChem (CID 79817683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).