4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine

C12H16N8O — CID 135744084

IUPAC4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H16N8O/c13-11-10(12(14)19-18-11)17-16-8-1-2-9(15-7-8)20-3-5-21-6-4-20/h1-2,7H,3-6H2,(H5,13,14,18,19)/b17-16+
InChIKeyCCUGOPWHTIFIKP-WUKNDPDISA-N
MW288.31 g/mol
LogP1.22
Rot. Bonds3

About 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135744084) has the molecular formula C12H16N8O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135744084
Molecular FormulaC12H16N8O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H16N8O/c13-11-10(12(14)19-18-11)17-16-8-1-2-9(15-7-8)20-3-5-21-6-4-20/h1-2,7H,3-6H2,(H5,13,14,18,19)/b17-16+
InChIKeyCCUGOPWHTIFIKP-WUKNDPDISA-N
XLogP1.22
TPSA130.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(5-isothiocyanato-2-pyridinyl)morpholine
CID 2776464
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
6-morpholin-4-ylpyridine-3-thiol
CID 123169519
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
4-amino-5-[[4-(4-fluorophenyl)phenyl]diazenyl]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
CID 86578852
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346

Frequently Asked Questions

What is the IUPAC name of 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135744084) is 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is CCUGOPWHTIFIKP-WUKNDPDISA-N. The full InChI is InChI=1S/C12H16N8O/c13-11-10(12(14)19-18-11)17-16-8-1-2-9(15-7-8)20-3-5-21-6-4-20/h1-2,7H,3-6H2,(H5,13,14,18,19)/b17-16+.
What are the key properties of 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 288.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135744084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).