N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine

C12H7Cl2N5 — CID 81036767

IUPACN-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
SMILESClc1nnc(Cl)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C12H7Cl2N5/c13-10-11(17-12(14)19-18-10)16-8-3-4-9-7(6-8)2-1-5-15-9/h1-6H,(H,16,17,19)
InChIKeyMYOITSDCBXHBJU-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.47
Rot. Bonds2

About N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine

N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine (PubChem CID 81036767) has the molecular formula C12H7Cl2N5 and a molecular weight of 292.13 g/mol. Its IUPAC name is N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine.

Molecular Properties

Compound NameN-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
PubChem CID81036767
Molecular FormulaC12H7Cl2N5
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC NameN-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine
SMILESClc1nnc(Cl)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C12H7Cl2N5/c13-10-11(17-12(14)19-18-10)16-8-3-4-9-7(6-8)2-1-5-15-9/h1-6H,(H,16,17,19)
InChIKeyMYOITSDCBXHBJU-UHFFFAOYSA-N
XLogP3.47
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine?
The IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine (CID 81036767) is N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine.
What is the SMILES notation for N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine?
The canonical SMILES for N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine is Clc1nnc(Cl)c(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine?
The InChIKey is MYOITSDCBXHBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5/c13-10-11(17-12(14)19-18-10)16-8-3-4-9-7(6-8)2-1-5-15-9/h1-6H,(H,16,17,19).
What are the key properties of N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine?
N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine has a molecular weight of 292.13 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-1,2,4-triazin-5-yl)quinolin-6-amine is sourced from PubChem (CID 81036767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).