5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol

C11H20ClN5O — CID 107324197

IUPAC5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESCCCNc1nc(Cl)nc(NCCCCCO)n1
InChIInChI=1S/C11H20ClN5O/c1-2-6-13-10-15-9(12)16-11(17-10)14-7-4-3-5-8-18/h18H,2-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyRSQHGQQJAZRBSG-UHFFFAOYSA-N
MW273.77 g/mol
LogP1.92
Rot. Bonds9

About 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol

5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol (PubChem CID 107324197) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
PubChem CID107324197
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC Name5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESCCCNc1nc(Cl)nc(NCCCCCO)n1
InChIInChI=1S/C11H20ClN5O/c1-2-6-13-10-15-9(12)16-11(17-10)14-7-4-3-5-8-18/h18H,2-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyRSQHGQQJAZRBSG-UHFFFAOYSA-N
XLogP1.92
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol with MolForge

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Related Compounds

5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
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
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
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 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol (CID 107324197) is 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol is CCCNc1nc(Cl)nc(NCCCCCO)n1.
What is the InChIKey of 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The InChIKey is RSQHGQQJAZRBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O/c1-2-6-13-10-15-9(12)16-11(17-10)14-7-4-3-5-8-18/h18H,2-8H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol has a molecular weight of 273.77 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 107324197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).