7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C10H8ClN5O — CID 22002324

IUPAC7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(Cl)nc(N)n2nc(-c3ccco3)nc12
InChIInChI=1S/C10H8ClN5O/c1-5-7(11)13-10(12)16-9(5)14-8(15-16)6-3-2-4-17-6/h2-4H,1H3,(H2,12,13)
InChIKeyYQCNCZZEAIIEIY-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.93
Rot. Bonds1

About 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 22002324) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID22002324
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(Cl)nc(N)n2nc(-c3ccco3)nc12
InChIInChI=1S/C10H8ClN5O/c1-5-7(11)13-10(12)16-9(5)14-8(15-16)6-3-2-4-17-6/h2-4H,1H3,(H2,12,13)
InChIKeyYQCNCZZEAIIEIY-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

Analyze 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 22002324) is 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1c(Cl)nc(N)n2nc(-c3ccco3)nc12.
What is the InChIKey of 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is YQCNCZZEAIIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c1-5-7(11)13-10(12)16-9(5)14-8(15-16)6-3-2-4-17-6/h2-4H,1H3,(H2,12,13).
What are the key properties of 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-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 7-chloro-2-(furan-2-yl)-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 22002324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).