1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine

C17H20N8O — CID 71036344

IUPAC1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
SMILESNc1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)ccn1
InChIInChI=1S/C17H20N8O/c18-15-11-14(5-6-20-15)25-16(19)22-17(23-25)21-12-1-3-13(4-2-12)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H2,18,20)(H3,19,21,22,23)
InChIKeyCZGWVSKNGVDUPJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.41
Rot. Bonds4

About 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine

1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 71036344) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
PubChem CID71036344
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
SMILESNc1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)ccn1
InChIInChI=1S/C17H20N8O/c18-15-11-14(5-6-20-15)25-16(19)22-17(23-25)21-12-1-3-13(4-2-12)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H2,18,20)(H3,19,21,22,23)
InChIKeyCZGWVSKNGVDUPJ-UHFFFAOYSA-N
XLogP1.41
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one
CID 58976962
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976675
1-(6-methyl-2-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976097
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976897
4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117076740
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
ethyl 4-[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 58976640
1-[6-[(2,5-dichlorophenyl)methylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976410
3-N-(4-piperazin-1-ylphenyl)-1-pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976203
1-[4-[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]butane-1,3-dione
CID 25242525

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine (CID 71036344) is 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine is Nc1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)ccn1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is CZGWVSKNGVDUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c18-15-11-14(5-6-20-15)25-16(19)22-17(23-25)21-12-1-3-13(4-2-12)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H2,18,20)(H3,19,21,22,23).
What are the key properties of 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine?
1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 352.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 71036344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).