(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

C15H22N4 — CID 155700552

IUPAC(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
SMILESCC/C=C(/C=C\C=C(/C)N)c1nnc2n1C(C)CC2
InChIInChI=1S/C15H22N4/c1-4-6-13(8-5-7-11(2)16)15-18-17-14-10-9-12(3)19(14)15/h5-8,12H,4,9-10,16H2,1-3H3/b8-5-,11-7+,13-6-
InChIKeyOLGDGOODQXNYOB-GXJUCTIVSA-N
MW258.37 g/mol
LogP3.00
Rot. Bonds4

About (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

(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 (PubChem CID 155700552) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155700552
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(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
SMILESCC/C=C(/C=C\C=C(/C)N)c1nnc2n1C(C)CC2
InChIInChI=1S/C15H22N4/c1-4-6-13(8-5-7-11(2)16)15-18-17-14-10-9-12(3)19(14)15/h5-8,12H,4,9-10,16H2,1-3H3/b8-5-,11-7+,13-6-
InChIKeyOLGDGOODQXNYOB-GXJUCTIVSA-N
XLogP3.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

3-(4-cyclohexyl-5-propan-2-yl-1,2,4-triazol-3-yl)-2,6-dimethyl-4H-pyridin-4-ide;iridium
CID 58068058
Iridium;3-phenyl-4,5-dipropyl-1,2,4-triazole
CID 58240206
4-Cyclohexyl-3-methyl-5-phenyl-1,2,4-triazole;iridium
CID 58240251
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-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)nona-2,4,6-trien-2-amine
CID 155700475
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine
CID 79216795

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC/C=C(/C=C\C=C(/C)N)c1nnc2n1C(C)CC2.
What is the InChIKey of (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?
The InChIKey is OLGDGOODQXNYOB-GXJUCTIVSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-6-13(8-5-7-11(2)16)15-18-17-14-10-9-12(3)19(14)15/h5-8,12H,4,9-10,16H2,1-3H3/b8-5-,11-7+,13-6-.
What are the key properties of (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?
(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 has a molecular weight of 258.37 g/mol, XLogP of 3.00, 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-(5-methyl-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 155700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).