4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine

C16H26Cl2N10 — CID 134109285

IUPAC4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(Cl)nc(NNc2nc(Cl)nc(NCCCCC)n2)n1
InChIInChI=1S/C16H26Cl2N10/c1-3-5-7-9-19-13-21-11(17)23-15(25-13)27-28-16-24-12(18)22-14(26-16)20-10-8-6-4-2/h3-10H2,1-2H3,(H2,19,21,23,25,27)(H2,20,22,24,26,28)
InChIKeyCZTKSTJRVMBQLT-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.01
Rot. Bonds13

About 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine

4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine (PubChem CID 134109285) has the molecular formula C16H26Cl2N10 and a molecular weight of 429.36 g/mol. Its IUPAC name is 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
PubChem CID134109285
Molecular FormulaC16H26Cl2N10
Molecular Weight429.36 g/mol
Exact Mass428.17
IUPAC Name4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(Cl)nc(NNc2nc(Cl)nc(NCCCCC)n2)n1
InChIInChI=1S/C16H26Cl2N10/c1-3-5-7-9-19-13-21-11(17)23-15(25-13)27-28-16-24-12(18)22-14(26-16)20-10-8-6-4-2/h3-10H2,1-2H3,(H2,19,21,23,25,27)(H2,20,22,24,26,28)
InChIKeyCZTKSTJRVMBQLT-UHFFFAOYSA-N
XLogP4.01
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-chloro-4-N-hexyl-2-N-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 5124094
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
4-chloro-N-hexylpteridin-2-amine
CID 82459697
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide
CID 80820182
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine (CID 134109285) is 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine is CCCCCNc1nc(Cl)nc(NNc2nc(Cl)nc(NCCCCC)n2)n1.
What is the InChIKey of 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine?
The InChIKey is CZTKSTJRVMBQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N10/c1-3-5-7-9-19-13-21-11(17)23-15(25-13)27-28-16-24-12(18)22-14(26-16)20-10-8-6-4-2/h3-10H2,1-2H3,(H2,19,21,23,25,27)(H2,20,22,24,26,28).
What are the key properties of 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine?
4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine has a molecular weight of 429.36 g/mol, XLogP of 4.01, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 134109285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).