N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H17N5S — CID 139819374

IUPACN,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)c1cc(C)nc2nc(-c3cccs3)nn12
InChIInChI=1S/C14H17N5S/c1-4-18(5-2)12-9-10(3)15-14-16-13(17-19(12)14)11-7-6-8-20-11/h6-9H,4-5H2,1-3H3
InChIKeyRJLBNZVKAPDLEX-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.01
Rot. Bonds4

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

N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139819374) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID139819374
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)c1cc(C)nc2nc(-c3cccs3)nn12
InChIInChI=1S/C14H17N5S/c1-4-18(5-2)12-9-10(3)15-14-16-13(17-19(12)14)11-7-6-8-20-11/h6-9H,4-5H2,1-3H3
InChIKeyRJLBNZVKAPDLEX-UHFFFAOYSA-N
XLogP3.01
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 139819374) is N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN(CC)c1cc(C)nc2nc(-c3cccs3)nn12.
What is the InChIKey of N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RJLBNZVKAPDLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-4-18(5-2)12-9-10(3)15-14-16-13(17-19(12)14)11-7-6-8-20-11/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139819374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).