N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C17H17N9O — CID 135979637

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)nc3)ncc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C17H17N9O/c1-2-15(25-3-5-27-6-4-25)18-9-13(1)24-16-17-20-11-23-26(17)14(10-19-16)12-7-21-22-8-12/h1-2,7-11H,3-6H2,(H,19,24)(H,21,22)
InChIKeyUNLXXDRQUAZKAE-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.49
Rot. Bonds4

About N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 135979637) has the molecular formula C17H17N9O and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID135979637
Molecular FormulaC17H17N9O
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)nc3)ncc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C17H17N9O/c1-2-15(25-3-5-27-6-4-25)18-9-13(1)24-16-17-20-11-23-26(17)14(10-19-16)12-7-21-22-8-12/h1-2,7-11H,3-6H2,(H,19,24)(H,21,22)
InChIKeyUNLXXDRQUAZKAE-UHFFFAOYSA-N
XLogP1.49
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 135979637) is N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is c1nc2c(Nc3ccc(N4CCOCC4)nc3)ncc(-c3cn[nH]c3)n2n1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is UNLXXDRQUAZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O/c1-2-15(25-3-5-27-6-4-25)18-9-13(1)24-16-17-20-11-23-26(17)14(10-19-16)12-7-21-22-8-12/h1-2,7-11H,3-6H2,(H,19,24)(H,21,22).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 363.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 135979637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).