2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C19H19N7O — CID 10126162

IUPAC2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(N3CCNCC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
InChIKeyMQAJFAGHNPJXCS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.04
Rot. Bonds3

About 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10126162) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10126162
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(N3CCNCC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
InChIKeyMQAJFAGHNPJXCS-UHFFFAOYSA-N
XLogP2.04
TPSA97.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10126162) is 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2cccc(N3CCNCC3)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is MQAJFAGHNPJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22).
What are the key properties of 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 361.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(3-piperazin-1-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10126162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).