N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H15N5O2 — CID 172904499

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOC(CNc1nccn2c(C)nnc12)c1ccco1
InChIInChI=1S/C13H15N5O2/c1-9-16-17-13-12(14-5-6-18(9)13)15-8-11(19-2)10-4-3-7-20-10/h3-7,11H,8H2,1-2H3,(H,14,15)
InChIKeyPCPFDOLQKMXYEX-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 172904499) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID172904499
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCOC(CNc1nccn2c(C)nnc12)c1ccco1
InChIInChI=1S/C13H15N5O2/c1-9-16-17-13-12(14-5-6-18(9)13)15-8-11(19-2)10-4-3-7-20-10/h3-7,11H,8H2,1-2H3,(H,14,15)
InChIKeyPCPFDOLQKMXYEX-UHFFFAOYSA-N
XLogP1.83
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 172904499) is N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is COC(CNc1nccn2c(C)nnc12)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is PCPFDOLQKMXYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-16-17-13-12(14-5-6-18(9)13)15-8-11(19-2)10-4-3-7-20-10/h3-7,11H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 273.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 172904499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).