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

C13H13N5 — CID 743063

IUPACN-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2)n2ncnc2n1
InChIInChI=1S/C13H13N5/c1-10-7-12(18-13(17-10)15-9-16-18)14-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3
InChIKeyIGKUHHQUTNBCCC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.04
Rot. Bonds3

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

N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 743063) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID743063
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2)n2ncnc2n1
InChIInChI=1S/C13H13N5/c1-10-7-12(18-13(17-10)15-9-16-18)14-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3
InChIKeyIGKUHHQUTNBCCC-UHFFFAOYSA-N
XLogP2.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 743063) is N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccccc2)n2ncnc2n1.
What is the InChIKey of N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IGKUHHQUTNBCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-10-7-12(18-13(17-10)15-9-16-18)14-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3.
What are the key properties of N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 239.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 743063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).