N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine

C14H9ClN6 — CID 102918485

IUPACN-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine
SMILESClc1cc(Nc2cccc3cnccc23)n2ncnc2n1
InChIInChI=1S/C14H9ClN6/c15-12-6-13(21-14(20-12)17-8-18-21)19-11-3-1-2-9-7-16-5-4-10(9)11/h1-8,19H
InChIKeyZMSOFEGYWJKORC-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.07
Rot. Bonds2

About N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine

N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine (PubChem CID 102918485) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine
PubChem CID102918485
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC NameN-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine
SMILESClc1cc(Nc2cccc3cnccc23)n2ncnc2n1
InChIInChI=1S/C14H9ClN6/c15-12-6-13(21-14(20-12)17-8-18-21)19-11-3-1-2-9-7-16-5-4-10(9)11/h1-8,19H
InChIKeyZMSOFEGYWJKORC-UHFFFAOYSA-N
XLogP3.07
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918288
N-(4-bromo-2-methylphenyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918270
5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
CID 59014098
2-[4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]acetonitrile
CID 102918740
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
5-(sulfinoamino)isoquinoline
CID 67429142
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
CID 43808588
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine?
The IUPAC name of N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine (CID 102918485) is N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine?
The canonical SMILES for N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine is Clc1cc(Nc2cccc3cnccc23)n2ncnc2n1.
What is the InChIKey of N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine?
The InChIKey is ZMSOFEGYWJKORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c15-12-6-13(21-14(20-12)17-8-18-21)19-11-3-1-2-9-7-16-5-4-10(9)11/h1-8,19H.
What are the key properties of N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine?
N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine has a molecular weight of 296.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)isoquinolin-5-amine is sourced from PubChem (CID 102918485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).