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

C16H18N6 — CID 4004860

IUPACN-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C16H18N6/c1-2-3-9-18-15-19-14(13-7-5-4-6-8-13)20-16(21-15)22-11-10-17-12-22/h4-8,10-12H,2-3,9H2,1H3,(H,18,19,20,21)
InChIKeyAQWGAONOHAWRKJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds6

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

N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 4004860) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID4004860
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C16H18N6/c1-2-3-9-18-15-19-14(13-7-5-4-6-8-13)20-16(21-15)22-11-10-17-12-22/h4-8,10-12H,2-3,9H2,1H3,(H,18,19,20,21)
InChIKeyAQWGAONOHAWRKJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine (CID 4004860) is N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine is CCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is AQWGAONOHAWRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-3-9-18-15-19-14(13-7-5-4-6-8-13)20-16(21-15)22-11-10-17-12-22/h4-8,10-12H,2-3,9H2,1H3,(H,18,19,20,21).
What are the key properties of N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine?
N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-imidazol-1-yl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 4004860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).