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

C12H7Cl2N5 — CID 62869400

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
SMILESClc1nc(Cl)nc(Nc2cccc3cnccc23)n1
InChIInChI=1S/C12H7Cl2N5/c13-10-17-11(14)19-12(18-10)16-9-3-1-2-7-6-15-5-4-8(7)9/h1-6H,(H,16,17,18,19)
InChIKeyOLOYVVMZYZQXEA-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.47
Rot. Bonds2

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

N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine (PubChem CID 62869400) has the molecular formula C12H7Cl2N5 and a molecular weight of 292.13 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
PubChem CID62869400
Molecular FormulaC12H7Cl2N5
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
SMILESClc1nc(Cl)nc(Nc2cccc3cnccc23)n1
InChIInChI=1S/C12H7Cl2N5/c13-10-17-11(14)19-12(18-10)16-9-3-1-2-7-6-15-5-4-8(7)9/h1-6H,(H,16,17,18,19)
InChIKeyOLOYVVMZYZQXEA-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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Related Compounds

N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-(4-naphthalen-1-ylpyrimidin-2-yl)isoquinolin-5-amine
CID 69205352
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
CID 43808588
4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
CID 62858993
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982
5-(sulfinoamino)isoquinoline
CID 67429142

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine (CID 62869400) is N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine is Clc1nc(Cl)nc(Nc2cccc3cnccc23)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine?
The InChIKey is OLOYVVMZYZQXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5/c13-10-17-11(14)19-12(18-10)16-9-3-1-2-7-6-15-5-4-8(7)9/h1-6H,(H,16,17,18,19).
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine?
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-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-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine is sourced from PubChem (CID 62869400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).