6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine

C12H10N6 — CID 10130944

IUPAC6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2nccc3ccccc23)n1
InChIInChI=1S/C12H10N6/c13-11-16-10(17-12(14)18-11)9-8-4-2-1-3-7(8)5-6-15-9/h1-6H,(H4,13,14,16,17,18)
InChIKeyZHRAYTRAZFABSD-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.25
Rot. Bonds1

About 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine

6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 10130944) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID10130944
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2nccc3ccccc23)n1
InChIInChI=1S/C12H10N6/c13-11-16-10(17-12(14)18-11)9-8-4-2-1-3-7(8)5-6-15-9/h1-6H,(H4,13,14,16,17,18)
InChIKeyZHRAYTRAZFABSD-UHFFFAOYSA-N
XLogP1.25
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-isoquinolin-1-ylpyrimidin-4-yl)methanamine
CID 63948055
2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
CID 63950493
4-isoquinolin-1-yl-1,3-thiazol-2-amine
CID 23595900
carbanide;iridium;1-phenylisoquinoline
CID 166502152
(3-isoquinolin-1-yl-1H-1,2,4-triazol-5-yl)methanol
CID 79601052
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
1-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)isoquinoline
CID 63948621
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine
CID 83107327
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
3-isoquinolin-1-yl-1,2,4-oxadiazole-5-carbaldehyde
CID 63949892
2-(7-chloroisoquinolin-1-yl)pyrimidine-4,6-diamine
CID 122443311

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine (CID 10130944) is 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2nccc3ccccc23)n1.
What is the InChIKey of 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZHRAYTRAZFABSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-11-16-10(17-12(14)18-11)9-8-4-2-1-3-7(8)5-6-15-9/h1-6H,(H4,13,14,16,17,18).
What are the key properties of 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine?
6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 238.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10130944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).