5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H8ClN5O — CID 86212335

IUPAC5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2nc(-c3ccco3)nn2c1N
InChIInChI=1S/C10H8ClN5O/c1-5-7(11)13-10-14-9(6-3-2-4-17-6)15-16(10)8(5)12/h2-4H,12H2,1H3
InChIKeyGVPCZQMCJKBPDM-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.93
Rot. Bonds1

About 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86212335) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID86212335
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2nc(-c3ccco3)nn2c1N
InChIInChI=1S/C10H8ClN5O/c1-5-7(11)13-10-14-9(6-3-2-4-17-6)15-16(10)8(5)12/h2-4H,12H2,1H3
InChIKeyGVPCZQMCJKBPDM-UHFFFAOYSA-N
XLogP1.93
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 86212335) is 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2nc(-c3ccco3)nn2c1N.
What is the InChIKey of 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GVPCZQMCJKBPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c1-5-7(11)13-10-14-9(6-3-2-4-17-6)15-16(10)8(5)12/h2-4H,12H2,1H3.
What are the key properties of 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 249.66 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(furan-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86212335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).