N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine

C14H22N4 — CID 123288397

IUPACN,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine
SMILESC=CCC=CC=CCCN(C)c1nnc(C)n1C
InChIInChI=1S/C14H22N4/c1-5-6-7-8-9-10-11-12-17(3)14-16-15-13(2)18(14)4/h5,7-10H,1,6,11-12H2,2-4H3
InChIKeyXTDFQKMTXLGWST-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.64
Rot. Bonds7

About N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine

N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine (PubChem CID 123288397) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine
PubChem CID123288397
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine
SMILESC=CCC=CC=CCCN(C)c1nnc(C)n1C
InChIInChI=1S/C14H22N4/c1-5-6-7-8-9-10-11-12-17(3)14-16-15-13(2)18(14)4/h5,7-10H,1,6,11-12H2,2-4H3
InChIKeyXTDFQKMTXLGWST-UHFFFAOYSA-N
XLogP2.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-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

3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
3-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-4-[(2Z)-hexa-2,5-dienyl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,2,4-triazole
CID 90305220
4-(6-Methylhepta-4,6-dienyl)-3-propyl-1,2,4-triazole
CID 123155448
3-Propan-2-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140925342
3-[(2Z,3Z)-2-ethylidenehexa-3,5-dienyl]-4,5-dimethyl-1,2,4-triazole
CID 141879735
ethane;4-[(Z,2E)-2-ethylidenepent-3-enyl]-3-methyl-1,2,4-triazole
CID 141913335
3-[(E)-but-1-enyl]-4,5-dimethyl-1,2,4-triazole;(Z)-1-fluorobut-2-ene
CID 142140843
3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane
CID 142548519
3-Propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 148752448
ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methyl-1,2,4-triazole
CID 153554181
N,N-dimethyl-2-[5-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,2,4-triazol-3-yl]butan-1-amine;ethane
CID 166073404
3,4-dimethyl-5-[(1Z,3Z)-6-methylhepta-1,3-dienyl]-1,2,4-triazole
CID 169871034

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine?
The IUPAC name of N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine (CID 123288397) is N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine?
The canonical SMILES for N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine is C=CCC=CC=CCCN(C)c1nnc(C)n1C.
What is the InChIKey of N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine?
The InChIKey is XTDFQKMTXLGWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-6-7-8-9-10-11-12-17(3)14-16-15-13(2)18(14)4/h5,7-10H,1,6,11-12H2,2-4H3.
What are the key properties of N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine?
N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine has a molecular weight of 246.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 123288397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).