1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine

C15H20N6O — CID 66694812

IUPAC1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2ccc(C=CCN3CCOCC3)cc2)n1
InChIInChI=1S/C15H20N6O/c16-14-18-15(17)21(19-14)13-5-3-12(4-6-13)2-1-7-20-8-10-22-11-9-20/h1-6H,7-11H2,(H4,16,17,18,19)
InChIKeyXTMJPTBQESIHJS-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.78
Rot. Bonds4

About 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine

1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine (PubChem CID 66694812) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
PubChem CID66694812
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2ccc(C=CCN3CCOCC3)cc2)n1
InChIInChI=1S/C15H20N6O/c16-14-18-15(17)21(19-14)13-5-3-12(4-6-13)2-1-7-20-8-10-22-11-9-20/h1-6H,7-11H2,(H4,16,17,18,19)
InChIKeyXTMJPTBQESIHJS-UHFFFAOYSA-N
XLogP0.78
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine
CID 164673258
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
CID 169476236
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
3-(morpholin-4-ylmethyl)-1-phenylpyrazol-5-amine
CID 82171782
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109300569
4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
CID 54341299

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine (CID 66694812) is 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine is Nc1nc(N)n(-c2ccc(C=CCN3CCOCC3)cc2)n1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine?
The InChIKey is XTMJPTBQESIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c16-14-18-15(17)21(19-14)13-5-3-12(4-6-13)2-1-7-20-8-10-22-11-9-20/h1-6H,7-11H2,(H4,16,17,18,19).
What are the key properties of 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine?
1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 300.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66694812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).