N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H19N5 — CID 71937878

IUPACN-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC(C)C2CC2)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-3-4-11-7-12(16-9(2)10-5-6-10)18-13(17-11)14-8-15-18/h7-10,16H,3-6H2,1-2H3
InChIKeyYIRFOIPMASTBMR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.29
Rot. Bonds5

About N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71937878) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71937878
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC(C)C2CC2)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-3-4-11-7-12(16-9(2)10-5-6-10)18-13(17-11)14-8-15-18/h7-10,16H,3-6H2,1-2H3
InChIKeyYIRFOIPMASTBMR-UHFFFAOYSA-N
XLogP2.29
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71937878) is N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NC(C)C2CC2)n2ncnc2n1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YIRFOIPMASTBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-4-11-7-12(16-9(2)10-5-6-10)18-13(17-11)14-8-15-18/h7-10,16H,3-6H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71937878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).