N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine

C23H23N9O — CID 118214070

IUPACN-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
SMILESc1cnc2ccc(CN3NNc4ncc(Nc5cncc(N6CCOCC6)c5)nc43)cc2c1
InChIInChI=1S/C23H23N9O/c1-2-17-10-16(3-4-20(17)25-5-1)15-32-23-22(29-30-32)26-14-21(28-23)27-18-11-19(13-24-12-18)31-6-8-33-9-7-31/h1-5,10-14,30H,6-9,15H2,(H,26,29)(H,27,28)
InChIKeyNVBZHRVITUNNON-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.85
Rot. Bonds5

About N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine

N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine (PubChem CID 118214070) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
PubChem CID118214070
Molecular FormulaC23H23N9O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC NameN-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine
SMILESc1cnc2ccc(CN3NNc4ncc(Nc5cncc(N6CCOCC6)c5)nc43)cc2c1
InChIInChI=1S/C23H23N9O/c1-2-17-10-16(3-4-20(17)25-5-1)15-32-23-22(29-30-32)26-14-21(28-23)27-18-11-19(13-24-12-18)31-6-8-33-9-7-31/h1-5,10-14,30H,6-9,15H2,(H,26,29)(H,27,28)
InChIKeyNVBZHRVITUNNON-UHFFFAOYSA-N
XLogP2.85
TPSA103.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
The IUPAC name of N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine (CID 118214070) is N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine.
What is the SMILES notation for N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
The canonical SMILES for N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine is c1cnc2ccc(CN3NNc4ncc(Nc5cncc(N6CCOCC6)c5)nc43)cc2c1.
What is the InChIKey of N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
The InChIKey is NVBZHRVITUNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O/c1-2-17-10-16(3-4-20(17)25-5-1)15-32-23-22(29-30-32)26-14-21(28-23)27-18-11-19(13-24-12-18)31-6-8-33-9-7-31/h1-5,10-14,30H,6-9,15H2,(H,26,29)(H,27,28).
What are the key properties of N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine?
N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine has a molecular weight of 441.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-3-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 118214070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).