4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine

C10H10Cl2N5+ — CID 86177835

IUPAC4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC[n+]2ccccc2)n1
InChIInChI=1S/C10H10Cl2N5/c11-8-14-9(12)16-10(15-8)13-4-7-17-5-2-1-3-6-17/h1-3,5-6H,4,7H2,(H,13,14,15,16)/q+1
InChIKeyIFDWTUSNTPVKBN-UHFFFAOYSA-N
MW271.13 g/mol
LogP1.58
Rot. Bonds4

About 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 86177835) has the molecular formula C10H10Cl2N5+ and a molecular weight of 271.13 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine
PubChem CID86177835
Molecular FormulaC10H10Cl2N5+
Molecular Weight271.13 g/mol
Exact Mass270.03
IUPAC Name4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC[n+]2ccccc2)n1
InChIInChI=1S/C10H10Cl2N5/c11-8-14-9(12)16-10(15-8)13-4-7-17-5-2-1-3-6-17/h1-3,5-6H,4,7H2,(H,13,14,15,16)/q+1
InChIKeyIFDWTUSNTPVKBN-UHFFFAOYSA-N
XLogP1.58
TPSA54.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-2-N,4-N-bis(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 22889564
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanenitrile
CID 21443697
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118921034
4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
CID 114156465
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine
CID 106195869
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
CID 3489053
6-chloro-2-N,2-N-diethyl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 62870223

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine (CID 86177835) is 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCC[n+]2ccccc2)n1.
What is the InChIKey of 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is IFDWTUSNTPVKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N5/c11-8-14-9(12)16-10(15-8)13-4-7-17-5-2-1-3-6-17/h1-3,5-6H,4,7H2,(H,13,14,15,16)/q+1.
What are the key properties of 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 271.13 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-pyridin-1-ium-1-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 86177835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).