N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C22H25N7 — CID 20880309

IUPACN-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESc1cncc(-c2nc3c4ccccc4nc(NCCCN4CCCCC4)n3n2)c1
InChIInChI=1S/C22H25N7/c1-4-13-28(14-5-1)15-7-12-24-22-25-19-10-3-2-9-18(19)21-26-20(27-29(21)22)17-8-6-11-23-16-17/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,25)
InChIKeyPXOGDBZDOXXGQJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.63
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880309) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880309
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC NameN-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESc1cncc(-c2nc3c4ccccc4nc(NCCCN4CCCCC4)n3n2)c1
InChIInChI=1S/C22H25N7/c1-4-13-28(14-5-1)15-7-12-24-22-25-19-10-3-2-9-18(19)21-26-20(27-29(21)22)17-8-6-11-23-16-17/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,25)
InChIKeyPXOGDBZDOXXGQJ-UHFFFAOYSA-N
XLogP3.63
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880309) is N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is c1cncc(-c2nc3c4ccccc4nc(NCCCN4CCCCC4)n3n2)c1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is PXOGDBZDOXXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-4-13-28(14-5-1)15-7-12-24-22-25-19-10-3-2-9-18(19)21-26-20(27-29(21)22)17-8-6-11-23-16-17/h2-3,6,8-11,16H,1,4-5,7,12-15H2,(H,24,25).
What are the key properties of N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 387.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).