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

C11H11N5S — CID 62043030

IUPAC4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine
SMILESCc1cc2nnc(-c3sc(N)cc3C)n2cn1
InChIInChI=1S/C11H11N5S/c1-6-3-8(12)17-10(6)11-15-14-9-4-7(2)13-5-16(9)11/h3-5H,12H2,1-2H3
InChIKeyPEBXLVQTABHFEX-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.05
Rot. Bonds1

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

4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine (PubChem CID 62043030) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine
PubChem CID62043030
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine
SMILESCc1cc2nnc(-c3sc(N)cc3C)n2cn1
InChIInChI=1S/C11H11N5S/c1-6-3-8(12)17-10(6)11-15-14-9-4-7(2)13-5-16(9)11/h3-5H,12H2,1-2H3
InChIKeyPEBXLVQTABHFEX-UHFFFAOYSA-N
XLogP2.05
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine?
The IUPAC name of 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine (CID 62043030) is 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine?
The canonical SMILES for 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine is Cc1cc2nnc(-c3sc(N)cc3C)n2cn1.
What is the InChIKey of 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine?
The InChIKey is PEBXLVQTABHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-6-3-8(12)17-10(6)11-15-14-9-4-7(2)13-5-16(9)11/h3-5H,12H2,1-2H3.
What are the key properties of 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine?
4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine has a molecular weight of 245.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiophen-2-amine is sourced from PubChem (CID 62043030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).