4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine

C17H20N6 — CID 3315893

IUPAC4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H20N6/c1-2-3-7-10-19-16-20-15(14-8-5-4-6-9-14)21-17(22-16)23-12-11-18-13-23/h4-6,8-9,11-13H,2-3,7,10H2,1H3,(H,19,20,21,22)
InChIKeyDHKYIMDRZJINAR-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.33
Rot. Bonds7

About 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 3315893) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID3315893
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H20N6/c1-2-3-7-10-19-16-20-15(14-8-5-4-6-9-14)21-17(22-16)23-12-11-18-13-23/h4-6,8-9,11-13H,2-3,7,10H2,1H3,(H,19,20,21,22)
InChIKeyDHKYIMDRZJINAR-UHFFFAOYSA-N
XLogP3.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylimidazole
CID 69591
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
Efetozole
CID 208911
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
Ngd 94-1
CID 188942
FR-79620
CID 10421577
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2,4-Disubstituted Pyrimidine 4b
CID 5329431
2,4-Disubstituted Pyrimidine 4c
CID 5329432
2,4-Disubstituted Pyrimidine 4e
CID 5329434

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine (CID 3315893) is 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine is CCCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is DHKYIMDRZJINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-3-7-10-19-16-20-15(14-8-5-4-6-9-14)21-17(22-16)23-12-11-18-13-23/h4-6,8-9,11-13H,2-3,7,10H2,1H3,(H,19,20,21,22).
What are the key properties of 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-pentyl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3315893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).