N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine

C12H26N4 — CID 162405389

IUPACN-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
SMILESCCCCCN1CN=C(NCCCC)NC1
InChIInChI=1S/C12H26N4/c1-3-5-7-9-16-10-14-12(15-11-16)13-8-6-4-2/h3-11H2,1-2H3,(H2,13,14,15)
InChIKeyGXHOXMWYSRIUGR-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.74
Rot. Bonds7

About N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine

N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine (PubChem CID 162405389) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine.

Molecular Properties

Compound NameN-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
PubChem CID162405389
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
SMILESCCCCCN1CN=C(NCCCC)NC1
InChIInChI=1S/C12H26N4/c1-3-5-7-9-16-10-14-12(15-11-16)13-8-6-4-2/h3-11H2,1-2H3,(H2,13,14,15)
InChIKeyGXHOXMWYSRIUGR-UHFFFAOYSA-N
XLogP1.74
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine?
The IUPAC name of N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine (CID 162405389) is N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine.
What is the SMILES notation for N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine?
The canonical SMILES for N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine is CCCCCN1CN=C(NCCCC)NC1.
What is the InChIKey of N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine?
The InChIKey is GXHOXMWYSRIUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-3-5-7-9-16-10-14-12(15-11-16)13-8-6-4-2/h3-11H2,1-2H3,(H2,13,14,15).
What are the key properties of N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine?
N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine has a molecular weight of 226.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine is sourced from PubChem (CID 162405389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).