6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine

C8H16N6 — CID 56615576

IUPAC6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6/c1-2-4-11-5-3-6-12-7(9)14-8(10)13-6/h11H,2-5H2,1H3,(H4,9,10,12,13,14)
InChIKeyFHMCVCWLLXILJQ-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.42
Rot. Bonds5

About 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56615576) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID56615576
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNCCc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6/c1-2-4-11-5-3-6-12-7(9)14-8(10)13-6/h11H,2-5H2,1H3,(H4,9,10,12,13,14)
InChIKeyFHMCVCWLLXILJQ-UHFFFAOYSA-N
XLogP-0.42
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine 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

N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
4,6-Bis-isopropylamino-[1,3,5]triazine-2-carbonitrile
CID 644401
N-Propyl-4-methyl-6-(trichloromethyl)-s-triazine-2-amine
CID 32661
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine
CID 23295
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, N-ethyl-4-methoxy-6-propyl-
CID 199905
1,3,5-Triazin-2-amine, 4-chloro-6-ethyl-N-(1-methylethyl)-
CID 3044737
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
4-Amino-6-(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 5299858

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine (CID 56615576) is 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine is CCCNCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FHMCVCWLLXILJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-2-4-11-5-3-6-12-7(9)14-8(10)13-6/h11H,2-5H2,1H3,(H4,9,10,12,13,14).
What are the key properties of 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 196.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propylamino)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56615576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).