N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine

C13H21N5O — CID 123889262

IUPACN-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine
SMILESC=C/C(=C\C)c1nc(NCCN2CCOCC2)n[nH]1
InChIInChI=1S/C13H21N5O/c1-3-11(4-2)12-15-13(17-16-12)14-5-6-18-7-9-19-10-8-18/h3-4H,1,5-10H2,2H3,(H2,14,15,16,17)/b11-4+
InChIKeyFHNZAMYHHWJFRJ-NYYWCZLTSA-N
MW263.34 g/mol
LogP1.14
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine

N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 123889262) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine
PubChem CID123889262
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine
SMILESC=C/C(=C\C)c1nc(NCCN2CCOCC2)n[nH]1
InChIInChI=1S/C13H21N5O/c1-3-11(4-2)12-15-13(17-16-12)14-5-6-18-7-9-19-10-8-18/h3-4H,1,5-10H2,2H3,(H2,14,15,16,17)/b11-4+
InChIKeyFHNZAMYHHWJFRJ-NYYWCZLTSA-N
XLogP1.14
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
CID 167943426
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
5-(2-morpholin-4-ylethylamino)-3H-1,3,4-thiadiazole-2-thione
CID 16767731
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112913352
2-N,2-N,6-N-trimethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777256
6-methoxy-4-N-methyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80777051
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933250

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine (CID 123889262) is N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine is C=C/C(=C\C)c1nc(NCCN2CCOCC2)n[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is FHNZAMYHHWJFRJ-NYYWCZLTSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-11(4-2)12-15-13(17-16-12)14-5-6-18-7-9-19-10-8-18/h3-4H,1,5-10H2,2H3,(H2,14,15,16,17)/b11-4+.
What are the key properties of N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine?
N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 263.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-[(3E)-penta-1,3-dien-3-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123889262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).