N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane

C10H19ClN6 — CID 158442311

IUPACN'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
SMILESC.NCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C9H15ClN6.CH4/c10-7-13-8(12-6-11)15-9(14-7)16-4-2-1-3-5-16;/h1-6,11H2,(H,12,13,14,15);1H4
InChIKeyHCYWNZKIFUBVTH-UHFFFAOYSA-N
MW258.76 g/mol
LogP1.48
Rot. Bonds3

About N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane

N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane (PubChem CID 158442311) has the molecular formula C10H19ClN6 and a molecular weight of 258.76 g/mol. Its IUPAC name is N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane.

Molecular Properties

Compound NameN'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
PubChem CID158442311
Molecular FormulaC10H19ClN6
Molecular Weight258.76 g/mol
Exact Mass258.14
IUPAC NameN'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
SMILESC.NCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C9H15ClN6.CH4/c10-7-13-8(12-6-11)15-9(14-7)16-4-2-1-3-5-16;/h1-6,11H2,(H,12,13,14,15);1H4
InChIKeyHCYWNZKIFUBVTH-UHFFFAOYSA-N
XLogP1.48
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989
4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156702
4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297724

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane?
The IUPAC name of N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane (CID 158442311) is N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane.
What is the SMILES notation for N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane?
The canonical SMILES for N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane is C.NCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane?
The InChIKey is HCYWNZKIFUBVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6.CH4/c10-7-13-8(12-6-11)15-9(14-7)16-4-2-1-3-5-16;/h1-6,11H2,(H,12,13,14,15);1H4.
What are the key properties of N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane?
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane has a molecular weight of 258.76 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane is sourced from PubChem (CID 158442311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).