(2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine

C14H20N4 — CID 155700475

IUPAC(2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine
SMILESCC/C=C(/C=C\C=C(/C)N)c1nnc2n1CCC2
InChIInChI=1S/C14H20N4/c1-3-6-12(8-4-7-11(2)15)14-17-16-13-9-5-10-18(13)14/h4,6-8H,3,5,9-10,15H2,1-2H3/b8-4-,11-7+,12-6-
InChIKeyGHGMDCCILSOABD-JBMXUKGGSA-N
MW244.34 g/mol
LogP2.44
Rot. Bonds4

About (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine

(2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine (PubChem CID 155700475) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine
PubChem CID155700475
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine
SMILESCC/C=C(/C=C\C=C(/C)N)c1nnc2n1CCC2
InChIInChI=1S/C14H20N4/c1-3-6-12(8-4-7-11(2)15)14-17-16-13-9-5-10-18(13)14/h4,6-8H,3,5,9-10,15H2,1-2H3/b8-4-,11-7+,12-6-
InChIKeyGHGMDCCILSOABD-JBMXUKGGSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
Iridium;4-(2-methylpropyl)-3-phenyl-5-propan-2-yl-1,2,4-triazole
CID 58240257
3,4-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 58240266
Iridium;3-methyl-4-(2-methylpropyl)-5-phenyl-1,2,4-triazole
CID 58240275
3,4-dimethyl-5-[(E,1Z)-1-(2-methyl-1,2-dihydropyrrol-3-ylidene)but-2-en-2-yl]-1,2,4-triazole
CID 142140854
(2E,4Z)-6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-2,4,6-trien-2-amine
CID 155158115
(2E,4Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)hepta-2,4,6-trien-2-amine
CID 155158323
(2E,4Z,6Z)-6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine
CID 155700552

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine (CID 155700475) is (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine is CC/C=C(/C=C\C=C(/C)N)c1nnc2n1CCC2.
What is the InChIKey of (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine?
The InChIKey is GHGMDCCILSOABD-JBMXUKGGSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-6-12(8-4-7-11(2)15)14-17-16-13-9-5-10-18(13)14/h4,6-8H,3,5,9-10,15H2,1-2H3/b8-4-,11-7+,12-6-.
What are the key properties of (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine?
(2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine is sourced from PubChem (CID 155700475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).