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

C10H9Cl2N5 — CID 81036306

IUPAC3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
SMILESCC(Nc1nc(Cl)nnc1Cl)c1cccnc1
InChIInChI=1S/C10H9Cl2N5/c1-6(7-3-2-4-13-5-7)14-9-8(11)16-17-10(12)15-9/h2-6H,1H3,(H,14,15,17)
InChIKeySDGKLEVRPVKGIP-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.75
Rot. Bonds3

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

3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine (PubChem CID 81036306) has the molecular formula C10H9Cl2N5 and a molecular weight of 270.12 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
PubChem CID81036306
Molecular FormulaC10H9Cl2N5
Molecular Weight270.12 g/mol
Exact Mass269.02
IUPAC Name3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
SMILESCC(Nc1nc(Cl)nnc1Cl)c1cccnc1
InChIInChI=1S/C10H9Cl2N5/c1-6(7-3-2-4-13-5-7)14-9-8(11)16-17-10(12)15-9/h2-6H,1H3,(H,14,15,17)
InChIKeySDGKLEVRPVKGIP-UHFFFAOYSA-N
XLogP2.75
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-3-ylethyl)phthalazin-1-amine
CID 43396321
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
1-methyl-N-(1-pyridin-3-ylethyl)tetrazol-5-amine
CID 63152413
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398
5-(1-chloroethyl)-N-(1-pyridin-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956656
N-(1-pyridin-3-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508337

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine (CID 81036306) is 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine is CC(Nc1nc(Cl)nnc1Cl)c1cccnc1.
What is the InChIKey of 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine?
The InChIKey is SDGKLEVRPVKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5/c1-6(7-3-2-4-13-5-7)14-9-8(11)16-17-10(12)15-9/h2-6H,1H3,(H,14,15,17).
What are the key properties of 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine has a molecular weight of 270.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81036306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).