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

C9H16ClN5O — CID 107855348

IUPAC6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
SMILESNc1nc(Cl)nc(NCCCCCCO)n1
InChIInChI=1S/C9H16ClN5O/c10-7-13-8(11)15-9(14-7)12-5-3-1-2-4-6-16/h16H,1-6H2,(H3,11,12,13,14,15)
InChIKeyCWSSGUDRAPOVMZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.07
Rot. Bonds7

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

6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol (PubChem CID 107855348) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
PubChem CID107855348
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
SMILESNc1nc(Cl)nc(NCCCCCCO)n1
InChIInChI=1S/C9H16ClN5O/c10-7-13-8(11)15-9(14-7)12-5-3-1-2-4-6-16/h16H,1-6H2,(H3,11,12,13,14,15)
InChIKeyCWSSGUDRAPOVMZ-UHFFFAOYSA-N
XLogP1.07
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807
5-[[4-[5-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460958
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
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
4-[[4-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]butylamino]-6-(4-fluorobutylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 145427155
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149742

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol (CID 107855348) is 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol is Nc1nc(Cl)nc(NCCCCCCO)n1.
What is the InChIKey of 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol?
The InChIKey is CWSSGUDRAPOVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c10-7-13-8(11)15-9(14-7)12-5-3-1-2-4-6-16/h16H,1-6H2,(H3,11,12,13,14,15).
What are the key properties of 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol?
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 107855348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).