6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5 — CID 6501344

IUPAC6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1c(Cc2ccccc2)c(C)nc2ncnn12
InChIInChI=1S/C16H19N5/c1-3-9-17-15-14(10-13-7-5-4-6-8-13)12(2)20-16-18-11-19-21(15)16/h4-8,11,17H,3,9-10H2,1-2H3
InChIKeyPWMYDXRUILXXIT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds5

About 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 6501344) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID6501344
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCNc1c(Cc2ccccc2)c(C)nc2ncnn12
InChIInChI=1S/C16H19N5/c1-3-9-17-15-14(10-13-7-5-4-6-8-13)12(2)20-16-18-11-19-21(15)16/h4-8,11,17H,3,9-10H2,1-2H3
InChIKeyPWMYDXRUILXXIT-UHFFFAOYSA-N
XLogP2.85
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 6501344) is 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCNc1c(Cc2ccccc2)c(C)nc2ncnn12.
What is the InChIKey of 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PWMYDXRUILXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-9-17-15-14(10-13-7-5-4-6-8-13)12(2)20-16-18-11-19-21(15)16/h4-8,11,17H,3,9-10H2,1-2H3.
What are the key properties of 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 6501344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).