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

C11H11N5O — CID 157276761

IUPAC2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1nc2cc(N)nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C11H11N5O/c1-6-3-4-8(17-6)11-14-9(12)5-10-13-7(2)15-16(10)11/h3-5H,12H2,1-2H3
InChIKeyAZESMXNEIBBRNC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.58
Rot. Bonds1

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

2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 157276761) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID157276761
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1nc2cc(N)nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C11H11N5O/c1-6-3-4-8(17-6)11-14-9(12)5-10-13-7(2)15-16(10)11/h3-5H,12H2,1-2H3
InChIKeyAZESMXNEIBBRNC-UHFFFAOYSA-N
XLogP1.58
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 157276761) is 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is Cc1nc2cc(N)nc(-c3ccc(C)o3)n2n1.
What is the InChIKey of 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is AZESMXNEIBBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-6-3-4-8(17-6)11-14-9(12)5-10-13-7(2)15-16(10)11/h3-5H,12H2,1-2H3.
What are the key properties of 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 229.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 157276761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).